1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine

C17H27N3 — CID 62368802

IUPAC1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C17H27N3/c1-18-14-15-6-8-17(9-7-15)20-12-10-19(11-13-20)16-4-2-3-5-16/h6-9,16,18H,2-5,10-14H2,1H3
InChIKeyQIZJPJPSSYLYKS-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.47
Rot. Bonds4

About 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine

1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 62368802) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine
PubChem CID62368802
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C17H27N3/c1-18-14-15-6-8-17(9-7-15)20-12-10-19(11-13-20)16-4-2-3-5-16/h6-9,16,18H,2-5,10-14H2,1H3
InChIKeyQIZJPJPSSYLYKS-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 62091433
1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836651
1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62136233
1-[4-[4-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 43280986
1-cycloheptyl-4-phenylpiperazine
CID 2846720
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]propan-1-amine
CID 79942869
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylphenyl]-N-methylmethanamine
CID 79934928
4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
CID 20655195
4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline
CID 110621030
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine (CID 62368802) is 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine is CNCc1ccc(N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is QIZJPJPSSYLYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-18-14-15-6-8-17(9-7-15)20-12-10-19(11-13-20)16-4-2-3-5-16/h6-9,16,18H,2-5,10-14H2,1H3.
What are the key properties of 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine?
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62368802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).