1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine

C15H23FN2 — CID 64834033

IUPAC1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2ccccc2F)CCN1
InChIInChI=1S/C15H23FN2/c1-12(2)9-14-11-18(8-7-17-14)10-13-5-3-4-6-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyLZQVZRKJEQMDGW-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.65
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine

1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine (PubChem CID 64834033) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine
PubChem CID64834033
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2ccccc2F)CCN1
InChIInChI=1S/C15H23FN2/c1-12(2)9-14-11-18(8-7-17-14)10-13-5-3-4-6-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyLZQVZRKJEQMDGW-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine 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-[2-(2-fluorophenyl)ethyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64942508
2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
CID 64834432
1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82907814
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64953125
1-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64857464
1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
CID 80695147
1-[(4-chloro-2-fluorophenyl)methyl]-3-ethylpiperazine
CID 114860278
1-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64869282
3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine
CID 107055316
1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
CID 64924018
3-benzyl-1-[(2-methylphenyl)methyl]piperazine
CID 64834107
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine (CID 64834033) is 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine is CC(C)CC1CN(Cc2ccccc2F)CCN1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine?
The InChIKey is LZQVZRKJEQMDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(2)9-14-11-18(8-7-17-14)10-13-5-3-4-6-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine?
1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine has a molecular weight of 250.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64834033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).