1,1-Dimethylethyl (3R,4S)-4-amino-3-fluoro-1-piperidinecarboxylate

HCID 11264435

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 907544-17-6
표준 SMILES: CC(C)(C)OC(=O)N1CC[C@H](N)[C@H](F)C1
InChIKey: ZQRYPCAUVKVMLZ-SFYZADRCSA-N
분자식: C10H19FN2O2
평균 분자량: 218.27 g/mol
단동위원소 질량: 218.14305607

이름 및 식별자

우선 이름: 1,1-Dimethylethyl (3R,4S)-4-amino-3-fluoro-1-piperidinecarboxylate
IUPAC: tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate
영어명: tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate
분자식: C10H19FN2O2
분자량: 218.27

이름 및 동의어

907544-17-61,1-Dimethylethyl (3R,4S)-4-amino-3-fluoro-1-piperidinecarboxylateRefChem:213808TERT-BUTYL (3R,4S)-4-AMINO-3-FLUOROPIPERIDINE-1-CARBOXYLATECIS-4-AMINO-1-BOC-3-FLUOROPIPERIDINE(3R,4S)-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylatetert-butyl (3R,4S)-4-amino-3-fluoro-piperidine-1-carboxylateMFCD12912368(3R,4S)-4-Amino-3-fluoropiperidine-1-carboxylic Acid tert-Butyl Ester(3R,4S)-4-Amino-1-Boc-3-fluoropiperidinecis-1,1-dimethylethyl 4-amino-3-fluoro-1-piperidinecarboxylate1-Boc-(3R,4S)-4-amino-3-fluoropiperidine

이름 더 보기

EOS-62096(3R,4S)-1-Boc-3-fluoropiperidin-4-amine(3R,4S)-N-Boc-3-fluoro-4-aminopiperidineCis-(3R,4S)-1-Boc-4-amino-3-fluoropiperidine(3R,4S)-4-AMINO-3-FLUOROPIPERIDINE-1-CARBOXYLATE1-Piperidinecarboxylic acid, 4-amino-3-fluoro-, 1,1-dimethylethyl ester, (3R,4S)-

SY099035cis-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylateSCHEMBL1356253ZQRYPCAUVKVMLZ-SFYZADRCSA-NDTXSID401164106AKOS022184816tert-butyl (3R,4S)-4-amino-3-fluoAS-33785

데이터베이스 식별자

CAS: 907544-17-6
PubChem CID: 11264435
DTXSID: DTXSID401164106

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 240

물리화학적 성질

끓는 점: 285.6 · 285.6±40.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 0 · Store at 0-8 °C
산도 계수 (pKa): 8.88 · 8.88±0.40(Predicted)
InChI: InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8+/m1/s1
InChIKey: ZQRYPCAUVKVMLZ-SFYZADRCSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC[C@H](N)[C@H](F)C1