2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline

C19H28N2 — CID 68535466

IUPAC2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline
SMILESCC1(C)CC=C(c2cc(C3CCNCC3)ccc2N)CC1
InChIInChI=1S/C19H28N2/c1-19(2)9-5-15(6-10-19)17-13-16(3-4-18(17)20)14-7-11-21-12-8-14/h3-5,13-14,21H,6-12,20H2,1-2H3
InChIKeyLYOXABSWRIWURD-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.33
Rot. Bonds2

About 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline

2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline (PubChem CID 68535466) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline
PubChem CID68535466
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline
SMILESCC1(C)CC=C(c2cc(C3CCNCC3)ccc2N)CC1
InChIInChI=1S/C19H28N2/c1-19(2)9-5-15(6-10-19)17-13-16(3-4-18(17)20)14-7-11-21-12-8-14/h3-5,13-14,21H,6-12,20H2,1-2H3
InChIKeyLYOXABSWRIWURD-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline?
The IUPAC name of 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline (CID 68535466) is 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline.
What is the SMILES notation for 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline?
The canonical SMILES for 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline is CC1(C)CC=C(c2cc(C3CCNCC3)ccc2N)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline?
The InChIKey is LYOXABSWRIWURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-19(2)9-5-15(6-10-19)17-13-16(3-4-18(17)20)14-7-11-21-12-8-14/h3-5,13-14,21H,6-12,20H2,1-2H3.
What are the key properties of 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline?
2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline has a molecular weight of 284.45 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexen-1-yl)-4-piperidin-4-ylaniline is sourced from PubChem (CID 68535466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).