[(3R)-1-phenylpiperidin-3-yl]carbamic acid

C12H16N2O2 — CID 89499357

IUPAC[(3R)-1-phenylpiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c15-12(16)13-10-5-4-8-14(9-10)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2,(H,15,16)/t10-/m1/s1
InChIKeyHZXYOGXCAWRGPJ-SNVBAGLBSA-N
MW220.27 g/mol
LogP1.92
Rot. Bonds2

About [(3R)-1-phenylpiperidin-3-yl]carbamic acid

[(3R)-1-phenylpiperidin-3-yl]carbamic acid (PubChem CID 89499357) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [(3R)-1-phenylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-phenylpiperidin-3-yl]carbamic acid
PubChem CID89499357
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[(3R)-1-phenylpiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c15-12(16)13-10-5-4-8-14(9-10)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2,(H,15,16)/t10-/m1/s1
InChIKeyHZXYOGXCAWRGPJ-SNVBAGLBSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenylpiperidin-3-yl)urea
CID 121416777
3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
CID 99635756
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
4-methoxy-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 68873857
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-phenylpiperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-phenylpiperidin-3-yl]carbamic acid (CID 89499357) is [(3R)-1-phenylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-phenylpiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-phenylpiperidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of [(3R)-1-phenylpiperidin-3-yl]carbamic acid?
The InChIKey is HZXYOGXCAWRGPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)13-10-5-4-8-14(9-10)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2,(H,15,16)/t10-/m1/s1.
What are the key properties of [(3R)-1-phenylpiperidin-3-yl]carbamic acid?
[(3R)-1-phenylpiperidin-3-yl]carbamic acid has a molecular weight of 220.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-phenylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 89499357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).