2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine

C16H25FN2 — CID 43830466

IUPAC2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine
SMILESCC(C)C(N)(CN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-13(2)16(18,12-19-10-4-3-5-11-19)14-6-8-15(17)9-7-14/h6-9,13H,3-5,10-12,18H2,1-2H3
InChIKeyKQLIEMHVLJFWMP-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine

2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine (PubChem CID 43830466) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine
PubChem CID43830466
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine
SMILESCC(C)C(N)(CN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-13(2)16(18,12-19-10-4-3-5-11-19)14-6-8-15(17)9-7-14/h6-9,13H,3-5,10-12,18H2,1-2H3
InChIKeyKQLIEMHVLJFWMP-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-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-(azepan-1-yl)-2-(4-fluorophenyl)-3-methylbutan-2-amine
CID 43830467
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
CID 43829761
3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine
CID 43830345
1-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidine
CID 70124782
1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine
CID 43829903
2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine
CID 43829937
1-(2,2,3-trimethylbutyl)piperidine
CID 123629740
1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 118938536
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol
CID 21396134
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine (CID 43830466) is 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine is CC(C)C(N)(CN1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine?
The InChIKey is KQLIEMHVLJFWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(2)16(18,12-19-10-4-3-5-11-19)14-6-8-15(17)9-7-14/h6-9,13H,3-5,10-12,18H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine?
2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 43830466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).