N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine

C20H31FN2 — CID 83998621

IUPACN-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
SMILESCCC1CC(NCC2CCCCC2)CN(c2cccc(F)c2)C1
InChIInChI=1S/C20H31FN2/c1-2-16-11-19(22-13-17-7-4-3-5-8-17)15-23(14-16)20-10-6-9-18(21)12-20/h6,9-10,12,16-17,19,22H,2-5,7-8,11,13-15H2,1H3
InChIKeyCJHNUMWGZVSIMV-UHFFFAOYSA-N
MW318.48 g/mol
LogP4.60
Rot. Bonds5

About N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine

N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine (PubChem CID 83998621) has the molecular formula C20H31FN2 and a molecular weight of 318.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
PubChem CID83998621
Molecular FormulaC20H31FN2
Molecular Weight318.48 g/mol
Exact Mass318.25
IUPAC NameN-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
SMILESCCC1CC(NCC2CCCCC2)CN(c2cccc(F)c2)C1
InChIInChI=1S/C20H31FN2/c1-2-16-11-19(22-13-17-7-4-3-5-8-17)15-23(14-16)20-10-6-9-18(21)12-20/h6,9-10,12,16-17,19,22H,2-5,7-8,11,13-15H2,1H3
InChIKeyCJHNUMWGZVSIMV-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
N-cyclopropyl-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83991724
N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83993088
N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83995163
N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83998607
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775
N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83996532
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine (CID 83998621) is N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine is CCC1CC(NCC2CCCCC2)CN(c2cccc(F)c2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
The InChIKey is CJHNUMWGZVSIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2/c1-2-16-11-19(22-13-17-7-4-3-5-8-17)15-23(14-16)20-10-6-9-18(21)12-20/h6,9-10,12,16-17,19,22H,2-5,7-8,11,13-15H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine has a molecular weight of 318.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 83998621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).