[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid

C15H22N2O2 — CID 129241403

IUPAC[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
SMILESCC1(C)C[C@@H](NC(=O)O)CN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(2)8-13(16-14(18)19)10-17(11-15)9-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyGXEHLYXFUFIZAN-CYBMUJFWSA-N
MW262.35 g/mol
LogP2.55
Rot. Bonds3

About [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid

[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid (PubChem CID 129241403) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
PubChem CID129241403
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
SMILESCC1(C)C[C@@H](NC(=O)O)CN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(2)8-13(16-14(18)19)10-17(11-15)9-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyGXEHLYXFUFIZAN-CYBMUJFWSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
CID 20792051
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
methyl (3S)-1-benzyl-5,5-difluoropiperidine-3-carboxylate
CID 97357046
(3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol
CID 100975569
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291
N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 139918944
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 155822282
[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid
CID 155094277
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide
CID 67294048

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid (CID 129241403) is [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid is CC1(C)C[C@@H](NC(=O)O)CN(Cc2ccccc2)C1.
What is the InChIKey of [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid?
The InChIKey is GXEHLYXFUFIZAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)8-13(16-14(18)19)10-17(11-15)9-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid?
[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid has a molecular weight of 262.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 129241403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).