2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline

C17H27N3 — CID 28800779

IUPAC2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
SMILESNc1ccccc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C17H27N3/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14,18H2
InChIKeyQGOOIPRMWXWBTR-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.97
Rot. Bonds3

About 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline

2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline (PubChem CID 28800779) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
PubChem CID28800779
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
SMILESNc1ccccc1N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C17H27N3/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14,18H2
InChIKeyQGOOIPRMWXWBTR-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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

ethane;2-[4-(oxan-4-ylmethyl)piperazin-1-yl]aniline
CID 156797075
2-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline
CID 118979228
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline
CID 156796662
1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine
CID 69218882
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]aniline
CID 116522202
2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline
CID 79174624
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 107081427
1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23142968
(2-aminophenyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119946751
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline?
The IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline (CID 28800779) is 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline?
The canonical SMILES for 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline is Nc1ccccc1N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline?
The InChIKey is QGOOIPRMWXWBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14,18H2.
What are the key properties of 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline?
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline has a molecular weight of 273.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 28800779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).