benzyl(piperidin-4-yl)carbamic acid

C13H18N2O2 — CID 54298382

IUPACbenzyl(piperidin-4-yl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C13H18N2O2/c16-13(17)15(12-6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,16,17)
InChIKeySCKAQHVGSRSOQV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.92
Rot. Bonds3

About benzyl(piperidin-4-yl)carbamic acid

benzyl(piperidin-4-yl)carbamic acid (PubChem CID 54298382) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is benzyl(piperidin-4-yl)carbamic acid.

Molecular Properties

Compound Namebenzyl(piperidin-4-yl)carbamic acid
PubChem CID54298382
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namebenzyl(piperidin-4-yl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C13H18N2O2/c16-13(17)15(12-6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,16,17)
InChIKeySCKAQHVGSRSOQV-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
1-benzyl-1-piperidin-4-ylhydrazine
CID 66594796
2-phenyl-N-(2-phenylacetyl)-N-piperidin-4-ylacetamide
CID 173425249
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 175352896
benzyl-[(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
CID 66604785
N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide
CID 167780143
N-benzyl-N-(trifluoromethyl)piperidin-4-amine
CID 71648787
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
4-[benzyl(piperidin-4-yl)amino]benzamide
CID 174618733
benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
CID 168862112

Frequently Asked Questions

What is the IUPAC name of benzyl(piperidin-4-yl)carbamic acid?
The IUPAC name of benzyl(piperidin-4-yl)carbamic acid (CID 54298382) is benzyl(piperidin-4-yl)carbamic acid.
What is the SMILES notation for benzyl(piperidin-4-yl)carbamic acid?
The canonical SMILES for benzyl(piperidin-4-yl)carbamic acid is O=C(O)N(Cc1ccccc1)C1CCNCC1.
What is the InChIKey of benzyl(piperidin-4-yl)carbamic acid?
The InChIKey is SCKAQHVGSRSOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17)15(12-6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,16,17).
What are the key properties of benzyl(piperidin-4-yl)carbamic acid?
benzyl(piperidin-4-yl)carbamic acid has a molecular weight of 234.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(piperidin-4-yl)carbamic acid is sourced from PubChem (CID 54298382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).