2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline

C19H28N2 — CID 89319687

IUPAC2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline
SMILESCCN1CCC(c2ccc(N)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C19H28N2/c1-2-21-12-10-15(11-13-21)17-8-9-19(20)18(14-17)16-6-4-3-5-7-16/h6,8-9,14-15H,2-5,7,10-13,20H2,1H3
InChIKeyBDMMYZDYXUAURJ-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.43
Rot. Bonds3

About 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline

2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline (PubChem CID 89319687) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline
PubChem CID89319687
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline
SMILESCCN1CCC(c2ccc(N)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C19H28N2/c1-2-21-12-10-15(11-13-21)17-8-9-19(20)18(14-17)16-6-4-3-5-7-16/h6,8-9,14-15H,2-5,7,10-13,20H2,1H3
InChIKeyBDMMYZDYXUAURJ-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline?
The IUPAC name of 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline (CID 89319687) is 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline is CCN1CCC(c2ccc(N)c(C3=CCCCC3)c2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline?
The InChIKey is BDMMYZDYXUAURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-21-12-10-15(11-13-21)17-8-9-19(20)18(14-17)16-6-4-3-5-7-16/h6,8-9,14-15H,2-5,7,10-13,20H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline?
2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline has a molecular weight of 284.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline is sourced from PubChem (CID 89319687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).