2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine

C16H24ClNO2 — CID 117479519

IUPAC2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
SMILESCOc1cc(Cl)cc(CC2CCCCN2)c1OC(C)C
InChIInChI=1S/C16H24ClNO2/c1-11(2)20-16-12(8-13(17)10-15(16)19-3)9-14-6-4-5-7-18-14/h8,10-11,14,18H,4-7,9H2,1-3H3
InChIKeyYWWBXAKYRKYXAM-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.82
Rot. Bonds5

About 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine

2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine (PubChem CID 117479519) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
PubChem CID117479519
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
SMILESCOc1cc(Cl)cc(CC2CCCCN2)c1OC(C)C
InChIInChI=1S/C16H24ClNO2/c1-11(2)20-16-12(8-13(17)10-15(16)19-3)9-14-6-4-5-7-18-14/h8,10-11,14,18H,4-7,9H2,1-3H3
InChIKeyYWWBXAKYRKYXAM-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117451779
2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine
CID 117479585
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine (CID 117479519) is 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine is COc1cc(Cl)cc(CC2CCCCN2)c1OC(C)C.
What is the InChIKey of 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine?
The InChIKey is YWWBXAKYRKYXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11(2)20-16-12(8-13(17)10-15(16)19-3)9-14-6-4-5-7-18-14/h8,10-11,14,18H,4-7,9H2,1-3H3.
What are the key properties of 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine?
2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine has a molecular weight of 297.83 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine is sourced from PubChem (CID 117479519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).