5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride

C15H19Cl2NO2 — CID 3071830

IUPAC5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCCCC1
InChIInChI=1S/C15H18ClNO2.ClH/c16-12-6-4-11(5-7-12)14-10-13(15(18)19-14)17-8-2-1-3-9-17;/h4-7,13-14H,1-3,8-10H2;1H
InChIKeyJYVBICBZSPFRIB-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.60
Rot. Bonds2

About 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride

5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride (PubChem CID 3071830) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride
PubChem CID3071830
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCCCC1
InChIInChI=1S/C15H18ClNO2.ClH/c16-12-6-4-11(5-7-12)14-10-13(15(18)19-14)17-8-2-1-3-9-17;/h4-7,13-14H,1-3,8-10H2;1H
InChIKeyJYVBICBZSPFRIB-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride (CID 3071830) is 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride is Cl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride?
The InChIKey is JYVBICBZSPFRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2.ClH/c16-12-6-4-11(5-7-12)14-10-13(15(18)19-14)17-8-2-1-3-9-17;/h4-7,13-14H,1-3,8-10H2;1H.
What are the key properties of 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride?
5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride has a molecular weight of 316.23 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one;hydrochloride is sourced from PubChem (CID 3071830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).