N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine

C21H34N2 — CID 83998453

IUPACN-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC(NCC2CCCCC2)CC(c2ccccc2)C1
InChIInChI=1S/C21H34N2/c1-17(2)23-15-20(19-11-7-4-8-12-19)13-21(16-23)22-14-18-9-5-3-6-10-18/h4,7-8,11-12,17-18,20-22H,3,5-6,9-10,13-16H2,1-2H3
InChIKeyALRLSPWGEOUZTJ-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.42
Rot. Bonds5

About N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine

N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine (PubChem CID 83998453) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
PubChem CID83998453
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC NameN-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC(NCC2CCCCC2)CC(c2ccccc2)C1
InChIInChI=1S/C21H34N2/c1-17(2)23-15-20(19-11-7-4-8-12-19)13-21(16-23)22-14-18-9-5-3-6-10-18/h4,7-8,11-12,17-18,20-22H,3,5-6,9-10,13-16H2,1-2H3
InChIKeyALRLSPWGEOUZTJ-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
CID 43632316
N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
CID 19935156
2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
CID 83998440
3-phenyl-1-propan-2-ylazetidine
CID 23628
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
N-(cyclobutylmethyl)-5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83997047
N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998289
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635351
N-cyclohexyl-1-ethyl-5-phenylpiperidin-3-amine
CID 83999040
N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
CID 83996965
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine (CID 83998453) is N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine is CC(C)N1CC(NCC2CCCCC2)CC(c2ccccc2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine?
The InChIKey is ALRLSPWGEOUZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-17(2)23-15-20(19-11-7-4-8-12-19)13-21(16-23)22-14-18-9-5-3-6-10-18/h4,7-8,11-12,17-18,20-22H,3,5-6,9-10,13-16H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine?
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine has a molecular weight of 314.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83998453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).