(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol

C13H19NO2 — CID 15450831

IUPAC(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C13H19NO2/c15-10-12-6-7-14(9-13(12)16)8-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/t12-,13-/m0/s1
InChIKeyPAZOUOCFOKZLSA-STQMWFEESA-N
MW221.30 g/mol
LogP0.86
Rot. Bonds3

About (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol

(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 15450831) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
PubChem CID15450831
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C13H19NO2/c15-10-12-6-7-14(9-13(12)16)8-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/t12-,13-/m0/s1
InChIKeyPAZOUOCFOKZLSA-STQMWFEESA-N
XLogP0.86
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
CID 129427984
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide
CID 146128757
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol (CID 15450831) is (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol is OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is PAZOUOCFOKZLSA-STQMWFEESA-N. The full InChI is InChI=1S/C13H19NO2/c15-10-12-6-7-14(9-13(12)16)8-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol?
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 15450831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).