3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine

C16H24ClNO — CID 117118006

IUPAC3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1CC1CCCNC1
InChIInChI=1S/C16H24ClNO/c1-10-11(2)16(19-4)14(12(3)15(10)17)8-13-6-5-7-18-9-13/h13,18H,5-9H2,1-4H3
InChIKeyUYHXYCHBCZTBBB-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.82
Rot. Bonds3

About 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine

3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine (PubChem CID 117118006) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
PubChem CID117118006
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1CC1CCCNC1
InChIInChI=1S/C16H24ClNO/c1-10-11(2)16(19-4)14(12(3)15(10)17)8-13-6-5-7-18-9-13/h13,18H,5-9H2,1-4H3
InChIKeyUYHXYCHBCZTBBB-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]azetidine
CID 116925360
3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
CID 117482743
2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117999
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[(4-chloro-2,3,5,6-tetrafluorophenyl)methyl]piperidine
CID 117118055
3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117452568
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine?
The IUPAC name of 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine (CID 117118006) is 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine is COc1c(C)c(C)c(Cl)c(C)c1CC1CCCNC1.
What is the InChIKey of 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine?
The InChIKey is UYHXYCHBCZTBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-10-11(2)16(19-4)14(12(3)15(10)17)8-13-6-5-7-18-9-13/h13,18H,5-9H2,1-4H3.
What are the key properties of 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine?
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine has a molecular weight of 281.83 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine is sourced from PubChem (CID 117118006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).