1-benzyl-3-(hydroxymethyl)piperidin-3-ol

C13H19NO2 — CID 14025339

IUPAC1-benzyl-3-(hydroxymethyl)piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO2/c15-11-13(16)7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,15-16H,4,7-11H2
InChIKeyXOFDNFCDAYQIEF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.01
Rot. Bonds3

About 1-benzyl-3-(hydroxymethyl)piperidin-3-ol

1-benzyl-3-(hydroxymethyl)piperidin-3-ol (PubChem CID 14025339) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-benzyl-3-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(hydroxymethyl)piperidin-3-ol
PubChem CID14025339
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-benzyl-3-(hydroxymethyl)piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO2/c15-11-13(16)7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,15-16H,4,7-11H2
InChIKeyXOFDNFCDAYQIEF-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 1-benzyl-3-(hydroxymethyl)piperidin-3-ol (CID 14025339) is 1-benzyl-3-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-(hydroxymethyl)piperidin-3-ol is OCC1(O)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(hydroxymethyl)piperidin-3-ol?
The InChIKey is XOFDNFCDAYQIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-11-13(16)7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,15-16H,4,7-11H2.
What are the key properties of 1-benzyl-3-(hydroxymethyl)piperidin-3-ol?
1-benzyl-3-(hydroxymethyl)piperidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 14025339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).