1-benzyl-4-methylpiperidine-3,4-diol

C13H19NO2 — CID 15500738

IUPAC1-benzyl-4-methylpiperidine-3,4-diol
SMILESCC1(O)CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C13H19NO2/c1-13(16)7-8-14(10-12(13)15)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3
InChIKeyCUSSPDRDTHKEME-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.00
Rot. Bonds2

About 1-benzyl-4-methylpiperidine-3,4-diol

1-benzyl-4-methylpiperidine-3,4-diol (PubChem CID 15500738) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name1-benzyl-4-methylpiperidine-3,4-diol
PubChem CID15500738
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-benzyl-4-methylpiperidine-3,4-diol
SMILESCC1(O)CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C13H19NO2/c1-13(16)7-8-14(10-12(13)15)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3
InChIKeyCUSSPDRDTHKEME-UHFFFAOYSA-N
XLogP1.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperidine-3,4-diol?
The IUPAC name of 1-benzyl-4-methylpiperidine-3,4-diol (CID 15500738) is 1-benzyl-4-methylpiperidine-3,4-diol.
What is the SMILES notation for 1-benzyl-4-methylpiperidine-3,4-diol?
The canonical SMILES for 1-benzyl-4-methylpiperidine-3,4-diol is CC1(O)CCN(Cc2ccccc2)CC1O.
What is the InChIKey of 1-benzyl-4-methylpiperidine-3,4-diol?
The InChIKey is CUSSPDRDTHKEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(16)7-8-14(10-12(13)15)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3.
What are the key properties of 1-benzyl-4-methylpiperidine-3,4-diol?
1-benzyl-4-methylpiperidine-3,4-diol has a molecular weight of 221.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 15500738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).