2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine

C17H24ClNO2 — CID 117494554

IUPAC2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine
SMILESCOc1cc(Cl)cc(C2CCCCN2)c1OC1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-20-16-11-12(18)10-14(15-8-4-5-9-19-15)17(16)21-13-6-2-3-7-13/h10-11,13,15,19H,2-9H2,1H3
InChIKeyPSAURAOEBZIXJP-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.48
Rot. Bonds4

About 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine

2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine (PubChem CID 117494554) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine
PubChem CID117494554
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine
SMILESCOc1cc(Cl)cc(C2CCCCN2)c1OC1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-20-16-11-12(18)10-14(15-8-4-5-9-19-15)17(16)21-13-6-2-3-7-13/h10-11,13,15,19H,2-9H2,1H3
InChIKeyPSAURAOEBZIXJP-UHFFFAOYSA-N
XLogP4.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine
CID 117478268
2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)morpholine
CID 117479367
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine
CID 117470804
2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117387937
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine?
The IUPAC name of 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine (CID 117494554) is 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine.
What is the SMILES notation for 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine?
The canonical SMILES for 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine is COc1cc(Cl)cc(C2CCCCN2)c1OC1CCCC1.
What is the InChIKey of 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine?
The InChIKey is PSAURAOEBZIXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-20-16-11-12(18)10-14(15-8-4-5-9-19-15)17(16)21-13-6-2-3-7-13/h10-11,13,15,19H,2-9H2,1H3.
What are the key properties of 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine?
2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine has a molecular weight of 309.84 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine is sourced from PubChem (CID 117494554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).