(3R)-1-benzylazepan-3-ol

C13H19NO — CID 124585423

IUPAC(3R)-1-benzylazepan-3-ol
SMILESO[C@@H]1CCCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-13-8-4-5-9-14(11-13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/t13-/m1/s1
InChIKeyKPQNKWPCOMTRHO-CYBMUJFWSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds2

About (3R)-1-benzylazepan-3-ol

(3R)-1-benzylazepan-3-ol (PubChem CID 124585423) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3R)-1-benzylazepan-3-ol.

Molecular Properties

Compound Name(3R)-1-benzylazepan-3-ol
PubChem CID124585423
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3R)-1-benzylazepan-3-ol
SMILESO[C@@H]1CCCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-13-8-4-5-9-14(11-13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/t13-/m1/s1
InChIKeyKPQNKWPCOMTRHO-CYBMUJFWSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
(1-benzylazepan-3-yl)methanamine
CID 15718476
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-benzylazepane-3-carbaldehyde
CID 83910081
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzylazepane
CID 10954328
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
6-amino-1-benzylazepan-3-ol
CID 83486567
2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 115462681

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzylazepan-3-ol?
The IUPAC name of (3R)-1-benzylazepan-3-ol (CID 124585423) is (3R)-1-benzylazepan-3-ol.
What is the SMILES notation for (3R)-1-benzylazepan-3-ol?
The canonical SMILES for (3R)-1-benzylazepan-3-ol is O[C@@H]1CCCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzylazepan-3-ol?
The InChIKey is KPQNKWPCOMTRHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-8-4-5-9-14(11-13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/t13-/m1/s1.
What are the key properties of (3R)-1-benzylazepan-3-ol?
(3R)-1-benzylazepan-3-ol has a molecular weight of 205.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzylazepan-3-ol is sourced from PubChem (CID 124585423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).