tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate

C17H32N2O2 — CID 22120289

IUPACtert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC1CCCCC1)C1CCNCC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19(15-9-11-18-12-10-15)13-14-7-5-4-6-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeyFPFUOUAONGXHTA-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.56
Rot. Bonds3

About tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate

tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate (PubChem CID 22120289) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
PubChem CID22120289
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC1CCCCC1)C1CCNCC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19(15-9-11-18-12-10-15)13-14-7-5-4-6-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeyFPFUOUAONGXHTA-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 163411592
tert-butyl N-(cyclohexylmethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-4-ylmethyl)amino]butyl]carbamate
CID 139906636
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate
CID 71629089
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate
CID 157021829
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-[(4-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 175016181
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate (CID 22120289) is tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(CC1CCCCC1)C1CCNCC1.
What is the InChIKey of tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate?
The InChIKey is FPFUOUAONGXHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19(15-9-11-18-12-10-15)13-14-7-5-4-6-8-14/h14-15,18H,4-13H2,1-3H3.
What are the key properties of tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate?
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate has a molecular weight of 296.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 22120289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).