N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine

C17H24F2N2 — CID 83997239

IUPACN-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC2CCC2)CN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H24F2N2/c1-12-7-14(20-9-13-3-2-4-13)11-21(10-12)15-5-6-16(18)17(19)8-15/h5-6,8,12-14,20H,2-4,7,9-11H2,1H3
InChIKeyXRNWOVDAVZHCGE-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.57
Rot. Bonds4

About N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine

N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine (PubChem CID 83997239) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
PubChem CID83997239
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC2CCC2)CN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H24F2N2/c1-12-7-14(20-9-13-3-2-4-13)11-21(10-12)15-5-6-16(18)17(19)8-15/h5-6,8,12-14,20H,2-4,7,9-11H2,1H3
InChIKeyXRNWOVDAVZHCGE-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
CID 83997250
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
CID 83989825
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
N-(cyclobutylmethyl)-1-(2,3-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997260
N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83998607
N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83996532
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83997039
N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83998621
1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine (CID 83997239) is N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine is CC1CC(NCC2CCC2)CN(c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine?
The InChIKey is XRNWOVDAVZHCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-12-7-14(20-9-13-3-2-4-13)11-21(10-12)15-5-6-16(18)17(19)8-15/h5-6,8,12-14,20H,2-4,7,9-11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine?
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine has a molecular weight of 294.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 83997239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).