N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride

C13H19ClN2 — CID 3049212

IUPACN-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride
SMILESC/N=C(\c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C13H18N2.ClH/c1-14-13(12-8-4-2-5-9-12)15-10-6-3-7-11-15;/h2,4-5,8-9H,3,6-7,10-11H2,1H3;1H/b14-13+;
InChIKeyFYHVCEGNJMGCMG-IERUDJENSA-N
MW238.76 g/mol
LogP2.97
Rot. Bonds1

About N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride

N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride (PubChem CID 3049212) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride
PubChem CID3049212
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride
SMILESC/N=C(\c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C13H18N2.ClH/c1-14-13(12-8-4-2-5-9-12)15-10-6-3-7-11-15;/h2,4-5,8-9H,3,6-7,10-11H2,1H3;1H/b14-13+;
InChIKeyFYHVCEGNJMGCMG-IERUDJENSA-N
XLogP2.97
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.97
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 N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride?
The IUPAC name of N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride (CID 3049212) is N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride.
What is the SMILES notation for N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride?
The canonical SMILES for N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride is C/N=C(\c1ccccc1)N1CCCCC1.Cl.
What is the InChIKey of N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride?
The InChIKey is FYHVCEGNJMGCMG-IERUDJENSA-N. The full InChI is InChI=1S/C13H18N2.ClH/c1-14-13(12-8-4-2-5-9-12)15-10-6-3-7-11-15;/h2,4-5,8-9H,3,6-7,10-11H2,1H3;1H/b14-13+;.
What are the key properties of N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride?
N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-1-piperidin-1-ylmethanimine;hydrochloride is sourced from PubChem (CID 3049212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).