4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine

C14H20ClNO2 — CID 79320890

IUPAC4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine
SMILESCOc1ccc(C2CCNCC2C)c(Cl)c1OC
InChIInChI=1S/C14H20ClNO2/c1-9-8-16-7-6-10(9)11-4-5-12(17-2)14(18-3)13(11)15/h4-5,9-10,16H,6-8H2,1-3H3
InChIKeyLRXCHQZREZYDIW-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine

4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine (PubChem CID 79320890) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine
PubChem CID79320890
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine
SMILESCOc1ccc(C2CCNCC2C)c(Cl)c1OC
InChIInChI=1S/C14H20ClNO2/c1-9-8-16-7-6-10(9)11-4-5-12(17-2)14(18-3)13(11)15/h4-5,9-10,16H,6-8H2,1-3H3
InChIKeyLRXCHQZREZYDIW-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine?
The IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine (CID 79320890) is 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine.
What is the SMILES notation for 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine?
The canonical SMILES for 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine is COc1ccc(C2CCNCC2C)c(Cl)c1OC.
What is the InChIKey of 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine?
The InChIKey is LRXCHQZREZYDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-8-16-7-6-10(9)11-4-5-12(17-2)14(18-3)13(11)15/h4-5,9-10,16H,6-8H2,1-3H3.
What are the key properties of 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine?
4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine has a molecular weight of 269.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine is sourced from PubChem (CID 79320890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).