[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine

C17H26FN3 — CID 64500314

IUPAC[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H26FN3/c1-14-6-7-17(12-14,13-19)21-10-8-20(9-11-21)16-4-2-15(18)3-5-16/h2-5,14H,6-13,19H2,1H3
InChIKeyZCARWMOMVQEDBA-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.47
Rot. Bonds3

About [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine

[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine (PubChem CID 64500314) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
PubChem CID64500314
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H26FN3/c1-14-6-7-17(12-14,13-19)21-10-8-20(9-11-21)16-4-2-15(18)3-5-16/h2-5,14H,6-13,19H2,1H3
InChIKeyZCARWMOMVQEDBA-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine (CID 64500314) is [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine is CC1CCC(CN)(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine?
The InChIKey is ZCARWMOMVQEDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-14-6-7-17(12-14,13-19)21-10-8-20(9-11-21)16-4-2-15(18)3-5-16/h2-5,14H,6-13,19H2,1H3.
What are the key properties of [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine?
[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine has a molecular weight of 291.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 64500314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).