3-[(4-chlorophenyl)methoxy]-1-methylpiperidine

C13H18ClNO — CID 59165688

IUPAC3-[(4-chlorophenyl)methoxy]-1-methylpiperidine
SMILESCN1CCCC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO/c1-15-8-2-3-13(9-15)16-10-11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyTWJZKOHYDJRPEQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.95
Rot. Bonds3

About 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine

3-[(4-chlorophenyl)methoxy]-1-methylpiperidine (PubChem CID 59165688) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-1-methylpiperidine
PubChem CID59165688
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[(4-chlorophenyl)methoxy]-1-methylpiperidine
SMILESCN1CCCC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO/c1-15-8-2-3-13(9-15)16-10-11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyTWJZKOHYDJRPEQ-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine
CID 174433975
3-[(4-chlorophenyl)methoxy]cyclohexan-1-amine
CID 79466104
3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine
CID 143065328
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
(4-chlorophenyl)-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 46028668
3-[(4-chlorophenyl)methoxy]cyclopentan-1-amine
CID 79458134
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424
1-methyl-3-(2-methylpropoxy)piperidine
CID 155123264
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine
CID 46153744
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]propan-1-one
CID 53034672

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine (CID 59165688) is 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine is CN1CCCC(OCc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine?
The InChIKey is TWJZKOHYDJRPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-8-2-3-13(9-15)16-10-11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine?
3-[(4-chlorophenyl)methoxy]-1-methylpiperidine has a molecular weight of 239.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-1-methylpiperidine is sourced from PubChem (CID 59165688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).