기본 정보
- 표준 SMILES
CCC(O)(CC)CCN1CCC(c2noc3cc(F)ccc23)CC1- InChIKey
WPJCCNDFKKOMJI-UHFFFAOYSA-N- 분자식
- C19H27FN2O2
- 평균 분자량
- 334.4 g/mol
이름 및 식별자
- 우선 이름
- 6-Fluoro-3-[1-(3-hydroxy-3-ethylpentyl)4-piperidinyl]-1,2-benzisoxazole
- IUPAC
- 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
이름 및 동의어
SCHEMBL1545142WPJCCNDFKKOMJI-UHFFFAOYSA-N6-fluoro-3-[1(3-hydroxy-3-ethylpentyl)-4-piperidinyl]-1,2-benzisoxazole6-Fluoro-3-[1-(3-hydroxy-3-ethylpentyl)-4-piperidinyl]-1,2-benzisoxazole6-fluoro-3-[1-(3-hydroxy-3-ethylpentyl)-4piperidinyl]-1,2-benzisoxazole6-fluoro-3-[1-(3-hydroxy-3-ethylpentyl)4-piperidinyl]-1,2-benzisoxazole6-Fluoro-3-[1-(3-hydroxy-3ethylpentyl)-4-piperidinyl]-1,2-benzisoxazole6-fluoro-3-[l-(3-hydroxy-3-ethylpentyl)-4-piperidinyl]-1,2-benzisoxazole6-Fluoro3-[1-(3-hydroxy-3ethylpentyl)-4-piperidinyl]-1,2-benzisoxazole6-Fluoro-3-[1 -(3-hydroxy-3-ethylpentyl)-4-piperidinyl]-1,2-benzisoxazole
데이터베이스 식별자
- PubChem CID
- 18467342
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 49.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 397
관련 반응
134건
화합물 노트
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