2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline

C17H27N3O — CID 115414065

IUPAC2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
SMILESCOc1ccc(CN2CCN(C3CCCC3)CC2)c(N)c1
InChIInChI=1S/C17H27N3O/c1-21-16-7-6-14(17(18)12-16)13-19-8-10-20(11-9-19)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13,18H2,1H3
InChIKeyKGQRUAZNBDXBHH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.34
Rot. Bonds4

About 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline

2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline (PubChem CID 115414065) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
PubChem CID115414065
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
SMILESCOc1ccc(CN2CCN(C3CCCC3)CC2)c(N)c1
InChIInChI=1S/C17H27N3O/c1-21-16-7-6-14(17(18)12-16)13-19-8-10-20(11-9-19)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13,18H2,1H3
InChIKeyKGQRUAZNBDXBHH-UHFFFAOYSA-N
XLogP2.34
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-5-methoxyaniline
CID 115414106
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]aniline
CID 59353063
1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 115413812
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 831606
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-methoxyaniline
CID 82750106
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 23791064
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
5-methoxy-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]aniline
CID 115414146
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-fluoroaniline
CID 79931916
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline?
The IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline (CID 115414065) is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline.
What is the SMILES notation for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline?
The canonical SMILES for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline is COc1ccc(CN2CCN(C3CCCC3)CC2)c(N)c1.
What is the InChIKey of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline?
The InChIKey is KGQRUAZNBDXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-21-16-7-6-14(17(18)12-16)13-19-8-10-20(11-9-19)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13,18H2,1H3.
What are the key properties of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline?
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline has a molecular weight of 289.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline is sourced from PubChem (CID 115414065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).