1-benzyl-6-methylpiperidine-3,4-diol

C13H19NO2 — CID 6421584

IUPAC1-benzyl-6-methylpiperidine-3,4-diol
SMILESCC1CC(O)C(O)CN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-10-7-12(15)13(16)9-14(10)8-11-5-3-2-4-6-11/h2-6,10,12-13,15-16H,7-9H2,1H3
InChIKeyAPBSBAHNGOFLRC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.00
Rot. Bonds2

About 1-benzyl-6-methylpiperidine-3,4-diol

1-benzyl-6-methylpiperidine-3,4-diol (PubChem CID 6421584) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-benzyl-6-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name1-benzyl-6-methylpiperidine-3,4-diol
PubChem CID6421584
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-benzyl-6-methylpiperidine-3,4-diol
SMILESCC1CC(O)C(O)CN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-10-7-12(15)13(16)9-14(10)8-11-5-3-2-4-6-11/h2-6,10,12-13,15-16H,7-9H2,1H3
InChIKeyAPBSBAHNGOFLRC-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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Related Compounds

(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758
1-benzyl-2,5-dimethylpiperidine
CID 73200484
1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 58099616
(1-benzyl-6-methylpiperidin-3-yl)methanol
CID 22106848
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methylpiperidine-3,4-diol?
The IUPAC name of 1-benzyl-6-methylpiperidine-3,4-diol (CID 6421584) is 1-benzyl-6-methylpiperidine-3,4-diol.
What is the SMILES notation for 1-benzyl-6-methylpiperidine-3,4-diol?
The canonical SMILES for 1-benzyl-6-methylpiperidine-3,4-diol is CC1CC(O)C(O)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-methylpiperidine-3,4-diol?
The InChIKey is APBSBAHNGOFLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-12(15)13(16)9-14(10)8-11-5-3-2-4-6-11/h2-6,10,12-13,15-16H,7-9H2,1H3.
What are the key properties of 1-benzyl-6-methylpiperidine-3,4-diol?
1-benzyl-6-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-6-methylpiperidine-3,4-diol is sourced from PubChem (CID 6421584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).