N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide

C15H22N2O2 — CID 167108133

IUPACN-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide
SMILESC[C@@H]1CCN(Cc2ccccc2)C[C@]1(O)CNC=O
InChIInChI=1S/C15H22N2O2/c1-13-7-8-17(9-14-5-3-2-4-6-14)11-15(13,19)10-16-12-18/h2-6,12-13,19H,7-11H2,1H3,(H,16,18)/t13-,15-/m1/s1
InChIKeyWYTXCHLPKKOGMR-UKRRQHHQSA-N
MW262.35 g/mol
LogP1.01
Rot. Bonds5

About N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide

N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide (PubChem CID 167108133) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide
PubChem CID167108133
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide
SMILESC[C@@H]1CCN(Cc2ccccc2)C[C@]1(O)CNC=O
InChIInChI=1S/C15H22N2O2/c1-13-7-8-17(9-14-5-3-2-4-6-14)11-15(13,19)10-16-12-18/h2-6,12-13,19H,7-11H2,1H3,(H,16,18)/t13-,15-/m1/s1
InChIKeyWYTXCHLPKKOGMR-UKRRQHHQSA-N
XLogP1.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
CID 23538
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
(3R,4S)-1-benzyl-3-methylpiperidine-4-carbaldehyde
CID 87248357
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
3-benzyl-3-azabicyclo[4.1.0]heptane-1-carbaldehyde;(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methanol;methane
CID 158201630
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide
CID 146122435
(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
CID 82658680
[(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone
CID 639291
(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide?
The IUPAC name of N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide (CID 167108133) is N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide.
What is the SMILES notation for N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide?
The canonical SMILES for N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide is C[C@@H]1CCN(Cc2ccccc2)C[C@]1(O)CNC=O.
What is the InChIKey of N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide?
The InChIKey is WYTXCHLPKKOGMR-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-13-7-8-17(9-14-5-3-2-4-6-14)11-15(13,19)10-16-12-18/h2-6,12-13,19H,7-11H2,1H3,(H,16,18)/t13-,15-/m1/s1.
What are the key properties of N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide?
N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide has a molecular weight of 262.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide is sourced from PubChem (CID 167108133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).