(6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol

C16H21NO — CID 129382733

IUPAC(6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol
SMILESO[C@H]1CCC2=C(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C16H21NO/c18-15-8-9-16-14(11-15)7-4-10-17(16)12-13-5-2-1-3-6-13/h1-3,5-6,15,18H,4,7-12H2/t15-/m0/s1
InChIKeyKMWGCUKJPXKLID-HNNXBMFYSA-N
MW243.35 g/mol
LogP3.08
Rot. Bonds2

About (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol

(6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol (PubChem CID 129382733) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol.

Molecular Properties

Compound Name(6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol
PubChem CID129382733
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol
SMILESO[C@H]1CCC2=C(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C16H21NO/c18-15-8-9-16-14(11-15)7-4-10-17(16)12-13-5-2-1-3-6-13/h1-3,5-6,15,18H,4,7-12H2/t15-/m0/s1
InChIKeyKMWGCUKJPXKLID-HNNXBMFYSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-1-benzyl-6-hydroxyazepan-2-one
CID 142998069
(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one
CID 166440267
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
(3R)-1-benzylazepan-3-ol
CID 124585423
1-benzyl-3-(4-fluorophenyl)piperidin-2-one
CID 22733840
1-benzylpyrrolidin-2-one;methyl formate
CID 143754063
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium
CID 10707247
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
1,2-dibenzylpyrazolidin-4-ol
CID 12543345
1,4-dibenzylpiperidin-2-one
CID 57246894
3-amino-1-benzylpyrrolidin-2-one
CID 47002372

Frequently Asked Questions

What is the IUPAC name of (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol?
The IUPAC name of (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol (CID 129382733) is (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol.
What is the SMILES notation for (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol?
The canonical SMILES for (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol is O[C@H]1CCC2=C(CCCN2Cc2ccccc2)C1.
What is the InChIKey of (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol?
The InChIKey is KMWGCUKJPXKLID-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO/c18-15-8-9-16-14(11-15)7-4-10-17(16)12-13-5-2-1-3-6-13/h1-3,5-6,15,18H,4,7-12H2/t15-/m0/s1.
What are the key properties of (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol?
(6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol has a molecular weight of 243.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-benzyl-3,4,5,6,7,8-hexahydro-2H-quinolin-6-ol is sourced from PubChem (CID 129382733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).