2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine

C14H20ClNO — CID 117387667

IUPAC2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
SMILESCOc1c(C)ccc(Cl)c1CC1CCCCN1
InChIInChI=1S/C14H20ClNO/c1-10-6-7-13(15)12(14(10)17-2)9-11-5-3-4-8-16-11/h6-7,11,16H,3-5,8-9H2,1-2H3
InChIKeyQWYKQZRPPKAPCY-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.34
Rot. Bonds3

About 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine

2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine (PubChem CID 117387667) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
PubChem CID117387667
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
SMILESCOc1c(C)ccc(Cl)c1CC1CCCCN1
InChIInChI=1S/C14H20ClNO/c1-10-6-7-13(15)12(14(10)17-2)9-11-5-3-4-8-16-11/h6-7,11,16H,3-5,8-9H2,1-2H3
InChIKeyQWYKQZRPPKAPCY-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
4-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387720
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
CID 117413480
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine?
The IUPAC name of 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine (CID 117387667) is 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine is COc1c(C)ccc(Cl)c1CC1CCCCN1.
What is the InChIKey of 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine?
The InChIKey is QWYKQZRPPKAPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-6-7-13(15)12(14(10)17-2)9-11-5-3-4-8-16-11/h6-7,11,16H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine?
2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine is sourced from PubChem (CID 117387667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).