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

C16H25FN4 — CID 62975450

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C16H25FN4/c1-19-7-6-16(12-18,13-19)21-10-8-20(9-11-21)15-4-2-14(17)3-5-15/h2-5H,6-13,18H2,1H3
InChIKeyMPOJOIPXRXXUHV-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.98
Rot. Bonds3

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

[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 62975450) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID62975450
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C16H25FN4/c1-19-7-6-16(12-18,13-19)21-10-8-20(9-11-21)15-4-2-14(17)3-5-15/h2-5H,6-13,18H2,1H3
InChIKeyMPOJOIPXRXXUHV-UHFFFAOYSA-N
XLogP0.98
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
CID 64500314
[1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
CID 62975821
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine
CID 65045661
[1-methyl-3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
CID 62977681
[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine
CID 43608688
2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
CID 90325892
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 63622763

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine (CID 62975450) is [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine is CN1CCC(CN)(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is MPOJOIPXRXXUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-19-7-6-16(12-18,13-19)21-10-8-20(9-11-21)15-4-2-14(17)3-5-15/h2-5H,6-13,18H2,1H3.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine?
[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 292.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62975450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).