(6S)-1-benzyl-6-hydroxyazepan-2-one

C13H17NO2 — CID 142998069

IUPAC(6S)-1-benzyl-6-hydroxyazepan-2-one
SMILESO=C1CCC[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-12-7-4-8-13(16)14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m0/s1
InChIKeyVNVRPJXCDDWFDM-LBPRGKRZSA-N
MW219.28 g/mol
LogP1.56
Rot. Bonds2

About (6S)-1-benzyl-6-hydroxyazepan-2-one

(6S)-1-benzyl-6-hydroxyazepan-2-one (PubChem CID 142998069) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (6S)-1-benzyl-6-hydroxyazepan-2-one.

Molecular Properties

Compound Name(6S)-1-benzyl-6-hydroxyazepan-2-one
PubChem CID142998069
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(6S)-1-benzyl-6-hydroxyazepan-2-one
SMILESO=C1CCC[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-12-7-4-8-13(16)14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m0/s1
InChIKeyVNVRPJXCDDWFDM-LBPRGKRZSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
CID 122231032
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CID 10490446
(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one
CID 10691445
(3R)-1-benzylazepan-3-ol
CID 124585423
(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one
CID 157327222
1,2-dibenzylpyrazolidin-4-ol
CID 12543345
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 102262809
(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
CID 11600997
1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one
CID 24776493
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943

Frequently Asked Questions

What is the IUPAC name of (6S)-1-benzyl-6-hydroxyazepan-2-one?
The IUPAC name of (6S)-1-benzyl-6-hydroxyazepan-2-one (CID 142998069) is (6S)-1-benzyl-6-hydroxyazepan-2-one.
What is the SMILES notation for (6S)-1-benzyl-6-hydroxyazepan-2-one?
The canonical SMILES for (6S)-1-benzyl-6-hydroxyazepan-2-one is O=C1CCC[C@H](O)CN1Cc1ccccc1.
What is the InChIKey of (6S)-1-benzyl-6-hydroxyazepan-2-one?
The InChIKey is VNVRPJXCDDWFDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-7-4-8-13(16)14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m0/s1.
What are the key properties of (6S)-1-benzyl-6-hydroxyazepan-2-one?
(6S)-1-benzyl-6-hydroxyazepan-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-benzyl-6-hydroxyazepan-2-one is sourced from PubChem (CID 142998069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).