2-(4-chlorophenyl)-2-(methoxymethyl)piperidine

C13H18ClNO — CID 117272084

IUPAC2-(4-chlorophenyl)-2-(methoxymethyl)piperidine
SMILESCOCC1(c2ccc(Cl)cc2)CCCCN1
InChIInChI=1S/C13H18ClNO/c1-16-10-13(8-2-3-9-15-13)11-4-6-12(14)7-5-11/h4-7,15H,2-3,8-10H2,1H3
InChIKeyVWYNFAIPURCJHL-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.96
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine

2-(4-chlorophenyl)-2-(methoxymethyl)piperidine (PubChem CID 117272084) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(methoxymethyl)piperidine
PubChem CID117272084
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(4-chlorophenyl)-2-(methoxymethyl)piperidine
SMILESCOCC1(c2ccc(Cl)cc2)CCCCN1
InChIInChI=1S/C13H18ClNO/c1-16-10-13(8-2-3-9-15-13)11-4-6-12(14)7-5-11/h4-7,15H,2-3,8-10H2,1H3
InChIKeyVWYNFAIPURCJHL-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-2-(3-methylphenyl)piperidine
CID 117272068
2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271928
4-(4-chlorophenyl)-4-(methoxymethyl)piperidine
CID 58117649
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271922
[2-(4-methylphenyl)piperidin-2-yl]methanamine
CID 115059311
(2-phenylpiperidin-2-yl)methyl acetate
CID 141381803
2-(3-chlorophenyl)-2-ethylpiperidine
CID 115058675
2-ethyl-2-(4-ethylphenyl)azepane
CID 79116595
2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine
CID 115058723
2-(3,4-difluorophenyl)-2-propylazepane
CID 79117432
4-[1-(methoxymethyl)cyclopentyl]benzonitrile
CID 67480439
2-phenyl-2-propylazepane
CID 79117631

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine?
The IUPAC name of 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine (CID 117272084) is 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine is COCC1(c2ccc(Cl)cc2)CCCCN1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine?
The InChIKey is VWYNFAIPURCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-10-13(8-2-3-9-15-13)11-4-6-12(14)7-5-11/h4-7,15H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine?
2-(4-chlorophenyl)-2-(methoxymethyl)piperidine has a molecular weight of 239.75 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(methoxymethyl)piperidine is sourced from PubChem (CID 117272084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).