phenyl N-(5-methylpiperidin-3-yl)carbamate

C13H18N2O2 — CID 75214530

IUPACphenyl N-(5-methylpiperidin-3-yl)carbamate
SMILESCC1CNCC(NC(=O)Oc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c1-10-7-11(9-14-8-10)15-13(16)17-12-5-3-2-4-6-12/h2-6,10-11,14H,7-9H2,1H3,(H,15,16)
InChIKeyKXJWDGKYDXHARA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.77
Rot. Bonds2

About phenyl N-(5-methylpiperidin-3-yl)carbamate

phenyl N-(5-methylpiperidin-3-yl)carbamate (PubChem CID 75214530) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is phenyl N-(5-methylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-methylpiperidin-3-yl)carbamate
PubChem CID75214530
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namephenyl N-(5-methylpiperidin-3-yl)carbamate
SMILESCC1CNCC(NC(=O)Oc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c1-10-7-11(9-14-8-10)15-13(16)17-12-5-3-2-4-6-12/h2-6,10-11,14H,7-9H2,1H3,(H,15,16)
InChIKeyKXJWDGKYDXHARA-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(4-methylpyrrolidin-3-yl)carbamate
CID 104826348
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-(3,4-dimethylcyclohexyl)carbamate
CID 64747807
phenyl N-cyclopentylcarbamate
CID 12791466
2-(2-hydroxyphenyl)-N-(5-methylpiperidin-3-yl)acetamide
CID 107585059
phenyl N-cyclooctylcarbamate
CID 60636968
phenyl N-(oxan-4-yl)carbamate
CID 61067434
3-hydroxy-N-(5-methylpiperidin-3-yl)benzamide
CID 107585048
N-(5-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107585077
2,3-dimethyl-N-(5-methylpiperidin-3-yl)benzamide
CID 107585123
2-methyl-N-(5-methylpiperidin-3-yl)propanamide
CID 107585162
benzyl formate;tert-butyl N-[(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 174724044

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-methylpiperidin-3-yl)carbamate?
The IUPAC name of phenyl N-(5-methylpiperidin-3-yl)carbamate (CID 75214530) is phenyl N-(5-methylpiperidin-3-yl)carbamate.
What is the SMILES notation for phenyl N-(5-methylpiperidin-3-yl)carbamate?
The canonical SMILES for phenyl N-(5-methylpiperidin-3-yl)carbamate is CC1CNCC(NC(=O)Oc2ccccc2)C1.
What is the InChIKey of phenyl N-(5-methylpiperidin-3-yl)carbamate?
The InChIKey is KXJWDGKYDXHARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-7-11(9-14-8-10)15-13(16)17-12-5-3-2-4-6-12/h2-6,10-11,14H,7-9H2,1H3,(H,15,16).
What are the key properties of phenyl N-(5-methylpiperidin-3-yl)carbamate?
phenyl N-(5-methylpiperidin-3-yl)carbamate has a molecular weight of 234.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-methylpiperidin-3-yl)carbamate is sourced from PubChem (CID 75214530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).