2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride

C16H24Cl2N2O — CID 120846874

IUPAC2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2CCC2CCOC2)c1
InChIInChI=1S/C16H23ClN2O.ClH/c17-15-3-1-2-14(10-15)16-11-18-6-8-19(16)7-4-13-5-9-20-12-13;/h1-3,10,13,16,18H,4-9,11-12H2;1H
InChIKeyKWDIXAZKMLOAMO-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.13
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride

2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride (PubChem CID 120846874) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
PubChem CID120846874
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2CCC2CCOC2)c1
InChIInChI=1S/C16H23ClN2O.ClH/c17-15-3-1-2-14(10-15)16-11-18-6-8-19(16)7-4-13-5-9-20-12-13;/h1-3,10,13,16,18H,4-9,11-12H2;1H
InChIKeyKWDIXAZKMLOAMO-UHFFFAOYSA-N
XLogP3.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120770977
2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine
CID 120846887
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine
CID 120770978
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(oxolan-3-yl)propan-1-one;hydrochloride
CID 120736841
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 120771158
4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride
CID 120770878
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride (CID 120846874) is 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride is Cl.Clc1cccc(C2CNCCN2CCC2CCOC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride?
The InChIKey is KWDIXAZKMLOAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c17-15-3-1-2-14(10-15)16-11-18-6-8-19(16)7-4-13-5-9-20-12-13;/h1-3,10,13,16,18H,4-9,11-12H2;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride?
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 120846874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).