N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine

C18H27FN2 — CID 83997039

IUPACN-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(NCC2CCC2)CN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2/c1-14-9-18(20-10-15-3-2-4-15)13-21(11-14)12-16-5-7-17(19)8-6-16/h5-8,14-15,18,20H,2-4,9-13H2,1H3
InChIKeyXOTTVVBKIDDQMB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.43
Rot. Bonds5

About N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine

N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine (PubChem CID 83997039) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
PubChem CID83997039
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(NCC2CCC2)CN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2/c1-14-9-18(20-10-15-3-2-4-15)13-21(11-14)12-16-5-7-17(19)8-6-16/h5-8,14-15,18,20H,2-4,9-13H2,1H3
InChIKeyXOTTVVBKIDDQMB-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine
CID 83990912
N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83997030
N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83993582
N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
CID 83996965
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 83998287
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
N-(cyclobutylmethyl)-1-(2,3-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997260
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine (CID 83997039) is N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine is CC1CC(NCC2CCC2)CN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is XOTTVVBKIDDQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-14-9-18(20-10-15-3-2-4-15)13-21(11-14)12-16-5-7-17(19)8-6-16/h5-8,14-15,18,20H,2-4,9-13H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 290.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 83997039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).