3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine

C15H22ClNO2 — CID 117456363

IUPAC3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
SMILESCOc1c(Cl)cc(CC2CCCNC2)c(C)c1OC
InChIInChI=1S/C15H22ClNO2/c1-10-12(7-11-5-4-6-17-9-11)8-13(16)15(19-3)14(10)18-2/h8,11,17H,4-7,9H2,1-3H3
InChIKeyWZAKYNSSYJDWJX-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.21
Rot. Bonds4

About 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine

3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine (PubChem CID 117456363) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
PubChem CID117456363
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
SMILESCOc1c(Cl)cc(CC2CCCNC2)c(C)c1OC
InChIInChI=1S/C15H22ClNO2/c1-10-12(7-11-5-4-6-17-9-11)8-13(16)15(19-3)14(10)18-2/h8,11,17H,4-7,9H2,1-3H3
InChIKeyWZAKYNSSYJDWJX-UHFFFAOYSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117437163
6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117437157
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
CID 117118006
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494517

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine?
The IUPAC name of 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine (CID 117456363) is 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine is COc1c(Cl)cc(CC2CCCNC2)c(C)c1OC.
What is the InChIKey of 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine?
The InChIKey is WZAKYNSSYJDWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-12(7-11-5-4-6-17-9-11)8-13(16)15(19-3)14(10)18-2/h8,11,17H,4-7,9H2,1-3H3.
What are the key properties of 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine?
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine has a molecular weight of 283.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine is sourced from PubChem (CID 117456363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).