2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine

C16H26FN3 — CID 60917598

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine
SMILESCCC(C)C(CN)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-3-13(2)16(12-18)20-10-8-19(9-11-20)15-7-5-4-6-14(15)17/h4-7,13,16H,3,8-12,18H2,1-2H3
InChIKeyYOWVDZNCILDZME-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine

2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine (PubChem CID 60917598) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine
PubChem CID60917598
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine
SMILESCCC(C)C(CN)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-3-13(2)16(12-18)20-10-8-19(9-11-20)15-7-5-4-6-14(15)17/h4-7,13,16H,3,8-12,18H2,1-2H3
InChIKeyYOWVDZNCILDZME-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-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

2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
4-ethylsulfanyl-2-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-amine
CID 116504002
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
CID 62437463
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine
CID 45496819
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide
CID 66428406
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine (CID 60917598) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine is CCC(C)C(CN)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine?
The InChIKey is YOWVDZNCILDZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-13(2)16(12-18)20-10-8-19(9-11-20)15-7-5-4-6-14(15)17/h4-7,13,16H,3,8-12,18H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine is sourced from PubChem (CID 60917598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).