4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline

C17H27N3 — CID 62368664

IUPAC4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
SMILESCc1cc(CN2CCN(C3CCCC3)CC2)ccc1N
InChIInChI=1S/C17H27N3/c1-14-12-15(6-7-17(14)18)13-19-8-10-20(11-9-19)16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13,18H2,1H3
InChIKeyVACILAROBUKZLL-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.64
Rot. Bonds3

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

4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline (PubChem CID 62368664) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
PubChem CID62368664
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
SMILESCc1cc(CN2CCN(C3CCCC3)CC2)ccc1N
InChIInChI=1S/C17H27N3/c1-14-12-15(6-7-17(14)18)13-19-8-10-20(11-9-19)16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13,18H2,1H3
InChIKeyVACILAROBUKZLL-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368313
4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-2-bromoaniline
CID 115557249
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylaniline
CID 102726820
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine
CID 3764341
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
2-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]aniline
CID 114547032
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline
CID 43592942
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline
CID 155109173

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline?
The IUPAC name of 4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline (CID 62368664) is 4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline?
The canonical SMILES for 4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline is Cc1cc(CN2CCN(C3CCCC3)CC2)ccc1N.
What is the InChIKey of 4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline?
The InChIKey is VACILAROBUKZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-12-15(6-7-17(14)18)13-19-8-10-20(11-9-19)16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13,18H2,1H3.
What are the key properties of 4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline?
4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline has a molecular weight of 273.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline is sourced from PubChem (CID 62368664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).