1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine

C18H26ClNO — CID 86875750

IUPAC1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine
SMILESCC(c1ccccc1Cl)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C18H26ClNO/c1-14(17-8-4-5-9-18(17)19)20-12-10-16(11-13-20)21-15-6-2-3-7-15/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3
InChIKeyRJOUQANJMLYRLO-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.82
Rot. Bonds4

About 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine

1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine (PubChem CID 86875750) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine
PubChem CID86875750
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine
SMILESCC(c1ccccc1Cl)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C18H26ClNO/c1-14(17-8-4-5-9-18(17)19)20-12-10-16(11-13-20)21-15-6-2-3-7-15/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3
InChIKeyRJOUQANJMLYRLO-UHFFFAOYSA-N
XLogP4.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine (CID 86875750) is 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine is CC(c1ccccc1Cl)N1CCC(OC2CCCC2)CC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine?
The InChIKey is RJOUQANJMLYRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-14(17-8-4-5-9-18(17)19)20-12-10-16(11-13-20)21-15-6-2-3-7-15/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3.
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine?
1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine has a molecular weight of 307.86 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine is sourced from PubChem (CID 86875750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).