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

C13H18Cl2N2 — CID 3049230

IUPAC1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride
SMILESC/N=C(/c1ccc(Cl)cc1)N1CCCCC1.Cl
InChIInChI=1S/C13H17ClN2.ClH/c1-15-13(16-9-3-2-4-10-16)11-5-7-12(14)8-6-11;/h5-8H,2-4,9-10H2,1H3;1H/b15-13-;
InChIKeyGWNZJNNACUAVPJ-ZDCVYKBASA-N
MW273.21 g/mol
LogP3.62
Rot. Bonds1

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

1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride (PubChem CID 3049230) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride
PubChem CID3049230
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride
SMILESC/N=C(/c1ccc(Cl)cc1)N1CCCCC1.Cl
InChIInChI=1S/C13H17ClN2.ClH/c1-15-13(16-9-3-2-4-10-16)11-5-7-12(14)8-6-11;/h5-8H,2-4,9-10H2,1H3;1H/b15-13-;
InChIKeyGWNZJNNACUAVPJ-ZDCVYKBASA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride (CID 3049230) is 1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride is C/N=C(/c1ccc(Cl)cc1)N1CCCCC1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride?
The InChIKey is GWNZJNNACUAVPJ-ZDCVYKBASA-N. The full InChI is InChI=1S/C13H17ClN2.ClH/c1-15-13(16-9-3-2-4-10-16)11-5-7-12(14)8-6-11;/h5-8H,2-4,9-10H2,1H3;1H/b15-13-;.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride?
1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride has a molecular weight of 273.21 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-1-piperidin-1-ylmethanimine;hydrochloride is sourced from PubChem (CID 3049230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).