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

C14H20N2 — CID 3049227

IUPACN-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine
SMILESC/N=C(/c1ccc(C)cc1)N1CCCCC1
InChIInChI=1S/C14H20N2/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/b15-14-
InChIKeyXVPXTGXDMANSKR-PFONDFGASA-N
MW216.33 g/mol
LogP2.86
Rot. Bonds1

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

N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine (PubChem CID 3049227) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine
PubChem CID3049227
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine
SMILESC/N=C(/c1ccc(C)cc1)N1CCCCC1
InChIInChI=1S/C14H20N2/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/b15-14-
InChIKeyXVPXTGXDMANSKR-PFONDFGASA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.86
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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Related Compounds

1-(4-methoxyphenyl)-N-methyl-1-piperidin-1-ylmethanimine
CID 3049237
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 11310498
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
1-(azepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 2097562
1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone
CID 15310511
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
methyl (E)-3-amino-3-(4-methylphenyl)-2-piperidin-1-ylprop-2-enoate
CID 10802291
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine (CID 3049227) is N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine is C/N=C(/c1ccc(C)cc1)N1CCCCC1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine?
The InChIKey is XVPXTGXDMANSKR-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N2/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/b15-14-.
What are the key properties of N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine?
N-methyl-1-(4-methylphenyl)-1-piperidin-1-ylmethanimine has a molecular weight of 216.33 g/mol, XLogP of 2.86, 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 is sourced from PubChem (CID 3049227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).