N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine

C13H17ClN2 — CID 141217756

IUPACN-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine
SMILESCc1c(Cl)cccc1/N=C/N1CCCCC1
InChIInChI=1S/C13H17ClN2/c1-11-12(14)6-5-7-13(11)15-10-16-8-3-2-4-9-16/h5-7,10H,2-4,8-9H2,1H3/b15-10+
InChIKeyXNUXCNXBGFMJLB-XNTDXEJSSA-N
MW236.75 g/mol
LogP3.79
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine

N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine (PubChem CID 141217756) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine
PubChem CID141217756
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC NameN-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine
SMILESCc1c(Cl)cccc1/N=C/N1CCCCC1
InChIInChI=1S/C13H17ClN2/c1-11-12(14)6-5-7-13(11)15-10-16-8-3-2-4-9-16/h5-7,10H,2-4,8-9H2,1H3/b15-10+
InChIKeyXNUXCNXBGFMJLB-XNTDXEJSSA-N
XLogP3.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.79
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-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine (CID 141217756) is N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine is Cc1c(Cl)cccc1/N=C/N1CCCCC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine?
The InChIKey is XNUXCNXBGFMJLB-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-11-12(14)6-5-7-13(11)15-10-16-8-3-2-4-9-16/h5-7,10H,2-4,8-9H2,1H3/b15-10+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine?
N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine has a molecular weight of 236.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylmethanimine is sourced from PubChem (CID 141217756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).