2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline

C18H26N2 — CID 68504341

IUPAC2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline
SMILESCC1CC=C(c2cc(C3CCNCC3)ccc2N)CC1
InChIInChI=1S/C18H26N2/c1-13-2-4-15(5-3-13)17-12-16(6-7-18(17)19)14-8-10-20-11-9-14/h4,6-7,12-14,20H,2-3,5,8-11,19H2,1H3
InChIKeyCVPBXHGTCOWIOT-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.94
Rot. Bonds2

About 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline

2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline (PubChem CID 68504341) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline.

Molecular Properties

Compound Name2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline
PubChem CID68504341
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline
SMILESCC1CC=C(c2cc(C3CCNCC3)ccc2N)CC1
InChIInChI=1S/C18H26N2/c1-13-2-4-15(5-3-13)17-12-16(6-7-18(17)19)14-8-10-20-11-9-14/h4,6-7,12-14,20H,2-3,5,8-11,19H2,1H3
InChIKeyCVPBXHGTCOWIOT-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline 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-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline?
The IUPAC name of 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline (CID 68504341) is 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline.
What is the SMILES notation for 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline?
The canonical SMILES for 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline is CC1CC=C(c2cc(C3CCNCC3)ccc2N)CC1.
What is the InChIKey of 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline?
The InChIKey is CVPBXHGTCOWIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13-2-4-15(5-3-13)17-12-16(6-7-18(17)19)14-8-10-20-11-9-14/h4,6-7,12-14,20H,2-3,5,8-11,19H2,1H3.
What are the key properties of 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline?
2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline has a molecular weight of 270.42 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylaniline is sourced from PubChem (CID 68504341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).