[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride

C15H20Cl2N2O2 — CID 120803594

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCOC1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2.ClH/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-20-10-12;/h1-3,8,12,14,17H,4-7,9-10H2;1H
InChIKeyADEDVTTVYUDFOK-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.27
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride

[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride (PubChem CID 120803594) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
PubChem CID120803594
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCOC1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2.ClH/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-20-10-12;/h1-3,8,12,14,17H,4-7,9-10H2;1H
InChIKeyADEDVTTVYUDFOK-UHFFFAOYSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 120802900
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
CID 120803117
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
CID 120846874
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
CID 120803118
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride (CID 120803594) is [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride is Cl.O=C(C1CCOC1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
The InChIKey is ADEDVTTVYUDFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2.ClH/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-20-10-12;/h1-3,8,12,14,17H,4-7,9-10H2;1H.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride has a molecular weight of 331.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride is sourced from PubChem (CID 120803594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).