3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine

C16H24ClNO2 — CID 117479597

IUPAC3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
SMILESCOc1c(Cl)cc(C2CCCNC2)c(C(C)C)c1OC
InChIInChI=1S/C16H24ClNO2/c1-10(2)14-12(11-6-5-7-18-9-11)8-13(17)15(19-3)16(14)20-4/h8,10-11,18H,5-7,9H2,1-4H3
InChIKeyLVOQIUFACRSKRG-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.95
Rot. Bonds4

About 3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine

3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine (PubChem CID 117479597) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
PubChem CID117479597
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
SMILESCOc1c(Cl)cc(C2CCCNC2)c(C(C)C)c1OC
InChIInChI=1S/C16H24ClNO2/c1-10(2)14-12(11-6-5-7-18-9-11)8-13(17)15(19-3)16(14)20-4/h8,10-11,18H,5-7,9H2,1-4H3
InChIKeyLVOQIUFACRSKRG-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497482
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497485
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
3-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117423037
3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine
CID 117417679

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine?
The IUPAC name of 3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine (CID 117479597) is 3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine?
The canonical SMILES for 3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine is COc1c(Cl)cc(C2CCCNC2)c(C(C)C)c1OC.
What is the InChIKey of 3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine?
The InChIKey is LVOQIUFACRSKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-10(2)14-12(11-6-5-7-18-9-11)8-13(17)15(19-3)16(14)20-4/h8,10-11,18H,5-7,9H2,1-4H3.
What are the key properties of 3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine?
3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine has a molecular weight of 297.83 g/mol, XLogP of 3.95, 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-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117479597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).