2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride

C24H30Cl2N2O2 — CID 45264271

IUPAC2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C24H29ClN2O2.ClH/c25-21-10-8-20(9-11-21)24(12-4-5-13-24)23(28)29-19-18-26-14-16-27(17-15-26)22-6-2-1-3-7-22;/h1-3,6-11H,4-5,12-19H2;1H
InChIKeyWMUQCJONUBGKRT-UHFFFAOYSA-N
MW449.42 g/mol
LogP4.94
Rot. Bonds6

About 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride

2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride (PubChem CID 45264271) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride
PubChem CID45264271
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC Name2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C24H29ClN2O2.ClH/c25-21-10-8-20(9-11-21)24(12-4-5-13-24)23(28)29-19-18-26-14-16-27(17-15-26)22-6-2-1-3-7-22;/h1-3,6-11H,4-5,12-19H2;1H
InChIKeyWMUQCJONUBGKRT-UHFFFAOYSA-N
XLogP4.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride (CID 45264271) is 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride is Cl.O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride?
The InChIKey is WMUQCJONUBGKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2.ClH/c25-21-10-8-20(9-11-21)24(12-4-5-13-24)23(28)29-19-18-26-14-16-27(17-15-26)22-6-2-1-3-7-22;/h1-3,6-11H,4-5,12-19H2;1H.
What are the key properties of 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride?
2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride has a molecular weight of 449.42 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45264271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).