piperidin-2-ylmethyl N-(4-methylphenyl)carbamate

C14H20N2O2 — CID 79337808

IUPACpiperidin-2-ylmethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC2CCCCN2)cc1
InChIInChI=1S/C14H20N2O2/c1-11-5-7-12(8-6-11)16-14(17)18-10-13-4-2-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyGKZACVYESQORBH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.69
Rot. Bonds3

About piperidin-2-ylmethyl N-(4-methylphenyl)carbamate

piperidin-2-ylmethyl N-(4-methylphenyl)carbamate (PubChem CID 79337808) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is piperidin-2-ylmethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Namepiperidin-2-ylmethyl N-(4-methylphenyl)carbamate
PubChem CID79337808
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namepiperidin-2-ylmethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC2CCCCN2)cc1
InChIInChI=1S/C14H20N2O2/c1-11-5-7-12(8-6-11)16-14(17)18-10-13-4-2-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyGKZACVYESQORBH-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-2-ylmethyl N-(2-methoxyphenyl)carbamate
CID 79337607
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 79337811
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
piperidin-2-ylmethyl N-butylcarbamate
CID 79337301
tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate
CID 107239512
pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate
CID 79338111
pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
CID 163634504
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate
CID 146539257
[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
CID 97048112
[(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate
CID 101157575

Frequently Asked Questions

What is the IUPAC name of piperidin-2-ylmethyl N-(4-methylphenyl)carbamate?
The IUPAC name of piperidin-2-ylmethyl N-(4-methylphenyl)carbamate (CID 79337808) is piperidin-2-ylmethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for piperidin-2-ylmethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for piperidin-2-ylmethyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCC2CCCCN2)cc1.
What is the InChIKey of piperidin-2-ylmethyl N-(4-methylphenyl)carbamate?
The InChIKey is GKZACVYESQORBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-7-12(8-6-11)16-14(17)18-10-13-4-2-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of piperidin-2-ylmethyl N-(4-methylphenyl)carbamate?
piperidin-2-ylmethyl N-(4-methylphenyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-ylmethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 79337808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).