methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate

C20H30N2O2 — CID 119138505

IUPACmethyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-24-20(23)17-7-9-18(10-8-17)21-19-11-13-22(14-12-19)15-16-5-3-2-4-6-16/h2-6,17-19,21H,7-15H2,1H3
InChIKeySFPJSXYZMVNGJS-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.97
Rot. Bonds5

About methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate

methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate (PubChem CID 119138505) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
PubChem CID119138505
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namemethyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-24-20(23)17-7-9-18(10-8-17)21-19-11-13-22(14-12-19)15-16-5-3-2-4-6-16/h2-6,17-19,21H,7-15H2,1H3
InChIKeySFPJSXYZMVNGJS-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578
methyl 3-(1-benzylpiperidin-4-yl)-4-oxocyclopentane-1-carboxylate
CID 72942383
cis-methyl (1S,3R)-3-(1-benzylpiperidin-4-yl)-4-oxocyclopentane-1-carboxylate
CID 86337278
methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate
CID 167246634
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate (CID 119138505) is methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is SFPJSXYZMVNGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-24-20(23)17-7-9-18(10-8-17)21-19-11-13-22(14-12-19)15-16-5-3-2-4-6-16/h2-6,17-19,21H,7-15H2,1H3.
What are the key properties of methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate?
methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 119138505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).