N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride

C14H21ClN2 — CID 3049226

IUPACN-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride
SMILESC/N=C(/c1ccc(C)cc1)N1CCCCC1.Cl
InChIInChI=1S/C14H20N2.ClH/c1-12-6-8-13(9-7-12)14(15-2)16-10-4-3-5-11-16;/h6-9H,3-5,10-11H2,1-2H3;1H/b15-14-;
InChIKeyGLQZDNSZXILNEJ-BGWNKZQTSA-N
MW252.79 g/mol
LogP3.28
Rot. Bonds1

About N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride

N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride (PubChem CID 3049226) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride
PubChem CID3049226
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride
SMILESC/N=C(/c1ccc(C)cc1)N1CCCCC1.Cl
InChIInChI=1S/C14H20N2.ClH/c1-12-6-8-13(9-7-12)14(15-2)16-10-4-3-5-11-16;/h6-9H,3-5,10-11H2,1-2H3;1H/b15-14-;
InChIKeyGLQZDNSZXILNEJ-BGWNKZQTSA-N
XLogP3.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;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 N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride?
The IUPAC name of N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride (CID 3049226) is N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride is C/N=C(/c1ccc(C)cc1)N1CCCCC1.Cl.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride?
The InChIKey is GLQZDNSZXILNEJ-BGWNKZQTSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c1-12-6-8-13(9-7-12)14(15-2)16-10-4-3-5-11-16;/h6-9H,3-5,10-11H2,1-2H3;1H/b15-14-;.
What are the key properties of N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride?
N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine;hydrochloride is sourced from PubChem (CID 3049226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).