tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate

C20H38N2O2 — CID 143571188

IUPACtert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate
SMILESCCCC1CCCN(C[C@@H]2CCCCC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H38N2O2/c1-5-9-16-10-8-13-22(14-16)15-17-11-6-7-12-18(17)21-19(23)24-20(2,3)4/h16-18H,5-15H2,1-4H3,(H,21,23)/t16?,17-,18?/m0/s1
InChIKeyKZJGOSSUCFWQCY-ADKAHSJRSA-N
MW338.54 g/mol
LogP4.58
Rot. Bonds5

About tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate

tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate (PubChem CID 143571188) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate
PubChem CID143571188
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Nametert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate
SMILESCCCC1CCCN(C[C@@H]2CCCCC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H38N2O2/c1-5-9-16-10-8-13-22(14-16)15-17-11-6-7-12-18(17)21-19(23)24-20(2,3)4/h16-18H,5-15H2,1-4H3,(H,21,23)/t16?,17-,18?/m0/s1
InChIKeyKZJGOSSUCFWQCY-ADKAHSJRSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate
CID 59007612
tert-butyl N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]carbamate;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 158128680
tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 143571096
tert-butyl N-[(1R,2S)-2-[[3-(2-methylpropyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 59007490
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(1R,2S)-2-[[4-[(E)-but-2-enoxy]piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 71159934
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734
cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 141194202
2-[1-[[2-(propylamino)cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228969
tert-butyl N-[(1S,2S)-2-formylcyclohexyl]carbamate;cis-(1S,2R)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;dihydrochloride
CID 162120338
tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243819
tert-butyl N-[[4-[[(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamoyl]phenyl]methyl]carbamate;cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid;dihydrochloride
CID 157423613

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate (CID 143571188) is tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate is CCCC1CCCN(C[C@@H]2CCCCC2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate?
The InChIKey is KZJGOSSUCFWQCY-ADKAHSJRSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-5-9-16-10-8-13-22(14-16)15-17-11-6-7-12-18(17)21-19(23)24-20(2,3)4/h16-18H,5-15H2,1-4H3,(H,21,23)/t16?,17-,18?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate?
tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate has a molecular weight of 338.54 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate is sourced from PubChem (CID 143571188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).