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

C24H30ClIN2O2 — CID 45264280

IUPAC2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1
InChIInChI=1S/C24H29IN2O2.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
InChIKeyZILNZVWJGXQPFL-UHFFFAOYSA-N
MW540.87 g/mol
LogP4.89
Rot. Bonds6

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

2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride (PubChem CID 45264280) has the molecular formula C24H30ClIN2O2 and a molecular weight of 540.87 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride
PubChem CID45264280
Molecular FormulaC24H30ClIN2O2
Molecular Weight540.87 g/mol
Exact Mass540.10
IUPAC Name2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1
InChIInChI=1S/C24H29IN2O2.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
InChIKeyZILNZVWJGXQPFL-UHFFFAOYSA-N
XLogP4.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.87
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 21950
CID 21950
CID 190867
CID 190867
CID 2621380
CID 2621380
CID 45260510
CID 45260510
CID 45261250
CID 45261250
CID 45264271
CID 45264271
CID 45264309
CID 45264309
CID 203095
CID 203095
CID 175781
CID 175781
CID 86273382
CID 86273382
CID 86273383
CID 86273383
CID 86274103
CID 86274103

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride (CID 45264280) is 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride is Cl.O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride?
The InChIKey is ZILNZVWJGXQPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29IN2O2.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-iodophenyl)cyclopentane-1-carboxylate;hydrochloride?
2-(4-phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride has a molecular weight of 540.87 g/mol, XLogP of 4.89, 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-iodophenyl)cyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45264280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).