4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine

C13H18ClNO — CID 156561113

IUPAC4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
SMILESCOc1ccc(C2CCN(C)CC2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-15-7-5-10(6-8-15)11-3-4-13(16-2)12(14)9-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZOTLIMUSGQQMBC-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.16
Rot. Bonds2

About 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine

4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine (PubChem CID 156561113) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
PubChem CID156561113
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
SMILESCOc1ccc(C2CCN(C)CC2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-15-7-5-10(6-8-15)11-3-4-13(16-2)12(14)9-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZOTLIMUSGQQMBC-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-3-methylphenyl)-1-methylpiperidine
CID 143502114
4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine
CID 83404378
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
5-(3-chloro-4-methoxyphenyl)cyclohexane-1,3-dione
CID 81340530
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine
CID 58980319
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 65021885
2-(3-chloro-4-methoxyphenyl)oxan-3-amine
CID 79365514
4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine
CID 141087893
4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
CID 117469507

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine (CID 156561113) is 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine is COc1ccc(C2CCN(C)CC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine?
The InChIKey is ZOTLIMUSGQQMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-7-5-10(6-8-15)11-3-4-13(16-2)12(14)9-11/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine?
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine has a molecular weight of 239.75 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine is sourced from PubChem (CID 156561113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).