[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol

C13H20N2O — CID 51892328

IUPAC[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
SMILESN[C@@]1(CO)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c14-13(11-16)7-4-8-15(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,16H,4,7-11,14H2/t13-/m0/s1
InChIKeyQEWVFFOOCJNJEO-ZDUSSCGKSA-N
MW220.32 g/mol
LogP0.97
Rot. Bonds3

About [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol

[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol (PubChem CID 51892328) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
PubChem CID51892328
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
SMILESN[C@@]1(CO)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c14-13(11-16)7-4-8-15(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,16H,4,7-11,14H2/t13-/m0/s1
InChIKeyQEWVFFOOCJNJEO-ZDUSSCGKSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
1-benzyl-4-(fluoromethyl)azepan-4-amine
CID 115041654
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
1-benzyl-3-pyridin-2-ylpiperidin-3-amine
CID 83693801
1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
CID 130137252
1-benzyl-3-(furan-2-yl)piperidin-3-amine
CID 83693426

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol (CID 51892328) is [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol is N[C@@]1(CO)CCCN(Cc2ccccc2)C1.
What is the InChIKey of [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol?
The InChIKey is QEWVFFOOCJNJEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c14-13(11-16)7-4-8-15(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,16H,4,7-11,14H2/t13-/m0/s1.
What are the key properties of [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol?
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol has a molecular weight of 220.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-amino-1-benzylpiperidin-3-yl]methanol is sourced from PubChem (CID 51892328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).