2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride

C16H27ClN2 — CID 16682051

IUPAC2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride
SMILESCC1CC(CCN)(c2ccccc2)C(C)CN1C.Cl
InChIInChI=1S/C16H26N2.ClH/c1-13-12-18(3)14(2)11-16(13,9-10-17)15-7-5-4-6-8-15;/h4-8,13-14H,9-12,17H2,1-3H3;1H
InChIKeyJRQBXCYLDALETE-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.06
Rot. Bonds3

About 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride

2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride (PubChem CID 16682051) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride
PubChem CID16682051
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride
SMILESCC1CC(CCN)(c2ccccc2)C(C)CN1C.Cl
InChIInChI=1S/C16H26N2.ClH/c1-13-12-18(3)14(2)11-16(13,9-10-17)15-7-5-4-6-8-15;/h4-8,13-14H,9-12,17H2,1-3H3;1H
InChIKeyJRQBXCYLDALETE-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride 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-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride (CID 16682051) is 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride is CC1CC(CCN)(c2ccccc2)C(C)CN1C.Cl.
What is the InChIKey of 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride?
The InChIKey is JRQBXCYLDALETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.ClH/c1-13-12-18(3)14(2)11-16(13,9-10-17)15-7-5-4-6-8-15;/h4-8,13-14H,9-12,17H2,1-3H3;1H.
What are the key properties of 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride?
2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride has a molecular weight of 282.86 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 16682051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).