2-(3-(Piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine

HCID 66876162

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1
InChIKey: UCWSAUMVNSJJNZ-UHFFFAOYSA-N
분자식: C18H17F3N2O
평균 분자량: 334.3 g/mol

이름 및 식별자

우선 이름: 2-(3-(Piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine
IUPAC: 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine

이름 및 동의어

1020336-04-22-(3-(piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridinePyridine, 2-[3-(4-piperidinylidenemethyl)phenoxy]-5-(trifluoromethyl)-2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridineSCHEMBL1011526CS-M25222-(3-piperidin-4-ylidenemethyl-phenoxy)-5-trifluoromethyl-pyridineMFCD28386896AKOS037650342CS-146662-[3-(4-piperidylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine

데이터베이스 식별자

PubChem CID: 66876162

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 34.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 24
형식 전하: 0
복잡도: 430

관련 반응

20건

반응 기록 만들기

HRID 140412 반응식

HRID 140412반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152374 반응식

HRID 152374반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161040 반응식

HRID 161040반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 684416 반응식

HRID 684416반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 685314 반응식

HRID 685314반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 822792 반응식

HRID 822792반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 822805 반응식

HRID 822805반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 958689 반응식

HRID 958689반응물로Validation data from https://doi.org/10.1039/C8SC04228D

연결된 노트

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