N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine

C17H25FN2 — CID 83996930

IUPACN-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
SMILESCN1CC(NCC2CCC2)CC(c2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2/c1-20-11-15(14-6-3-7-16(18)8-14)9-17(12-20)19-10-13-4-2-5-13/h3,6-8,13,15,17,19H,2,4-5,9-12H2,1H3
InChIKeyAPGGATVVSWZJKI-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.00
Rot. Bonds4

About N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine

N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine (PubChem CID 83996930) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
PubChem CID83996930
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
SMILESCN1CC(NCC2CCC2)CC(c2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2/c1-20-11-15(14-6-3-7-16(18)8-14)9-17(12-20)19-10-13-4-2-5-13/h3,6-8,13,15,17,19H,2,4-5,9-12H2,1H3
InChIKeyAPGGATVVSWZJKI-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluorophenyl)-N,1-dimethylpiperidin-3-amine
CID 83989552
N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 83996237
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775
N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
CID 83996965
N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998289
1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994200
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453
N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 83998287
N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994161
N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83998621

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine (CID 83996930) is N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine is CN1CC(NCC2CCC2)CC(c2cccc(F)c2)C1.
What is the InChIKey of N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine?
The InChIKey is APGGATVVSWZJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-20-11-15(14-6-3-7-16(18)8-14)9-17(12-20)19-10-13-4-2-5-13/h3,6-8,13,15,17,19H,2,4-5,9-12H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine?
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine has a molecular weight of 276.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 83996930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).