[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine

C17H26FN3 — CID 65045661

IUPAC[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine
SMILESCC1CCCC1(CN)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3/c1-14-3-2-8-17(14,13-19)21-11-9-20(10-12-21)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13,19H2,1H3
InChIKeyTZJHAZKQNNNIDU-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.47
Rot. Bonds3

About [1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine

[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine (PubChem CID 65045661) 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]-2-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine
PubChem CID65045661
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine
SMILESCC1CCCC1(CN)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3/c1-14-3-2-8-17(14,13-19)21-11-9-20(10-12-21)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13,19H2,1H3
InChIKeyTZJHAZKQNNNIDU-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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Related Compounds

[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
CID 64500314
[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine
CID 62975450
1-(4-fluorophenyl)-4,6-dimethyl-1,5-diazocane
CID 54973091
[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 43372747
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
CID 83822888
1-(4-fluorophenyl)-2-methylcyclopentan-1-amine
CID 79679805
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine
CID 65044746
[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 63154951
[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024877
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
1-(4-fluorophenyl)-4-(2-piperidin-3-ylethyl)piperazine
CID 62356339
2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
CID 61354158

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine?
The IUPAC name of [1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine (CID 65045661) is [1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine is CC1CCCC1(CN)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine?
The InChIKey is TZJHAZKQNNNIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-14-3-2-8-17(14,13-19)21-11-9-20(10-12-21)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13,19H2,1H3.
What are the key properties of [1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine?
[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-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]-2-methylcyclopentyl]methanamine is sourced from PubChem (CID 65045661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).