3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine

C15H22ClNO3 — CID 117482743

IUPAC3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(OC)c(OC)c(Cl)c1CC1CCCNC1
InChIInChI=1S/C15H22ClNO3/c1-18-12-8-13(19-2)15(20-3)14(16)11(12)7-10-5-4-6-17-9-10/h8,10,17H,4-7,9H2,1-3H3
InChIKeyUUWXCQPPGHCQJW-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.91
Rot. Bonds5

About 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine

3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine (PubChem CID 117482743) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
PubChem CID117482743
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(OC)c(OC)c(Cl)c1CC1CCCNC1
InChIInChI=1S/C15H22ClNO3/c1-18-12-8-13(19-2)15(20-3)14(16)11(12)7-10-5-4-6-17-9-10/h8,10,17H,4-7,9H2,1-3H3
InChIKeyUUWXCQPPGHCQJW-UHFFFAOYSA-N
XLogP2.91
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
CID 117118006
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[(2-bromo-3,6-dimethoxyphenyl)methyl]piperidine
CID 117499754
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine
CID 117448942

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine (CID 117482743) is 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine is COc1cc(OC)c(OC)c(Cl)c1CC1CCCNC1.
What is the InChIKey of 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine?
The InChIKey is UUWXCQPPGHCQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-18-12-8-13(19-2)15(20-3)14(16)11(12)7-10-5-4-6-17-9-10/h8,10,17H,4-7,9H2,1-3H3.
What are the key properties of 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine?
3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine has a molecular weight of 299.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117482743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).