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

C24H31ClN2O2 — CID 45264309

IUPAC2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H30N2O2.ClH/c27-23(24(13-7-8-14-24)21-9-3-1-4-10-21)28-20-19-25-15-17-26(18-16-25)22-11-5-2-6-12-22;/h1-6,9-12H,7-8,13-20H2;1H
InChIKeyXCXUQQPWWBLTSC-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.29
Rot. Bonds6

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

2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride (PubChem CID 45264309) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
PubChem CID45264309
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H30N2O2.ClH/c27-23(24(13-7-8-14-24)21-9-3-1-4-10-21)28-20-19-25-15-17-26(18-16-25)22-11-5-2-6-12-22;/h1-6,9-12H,7-8,13-20H2;1H
InChIKeyXCXUQQPWWBLTSC-UHFFFAOYSA-N
XLogP4.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.29
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-phenylcyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride (CID 45264309) is 2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride is Cl.O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The InChIKey is XCXUQQPWWBLTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2.ClH/c27-23(24(13-7-8-14-24)21-9-3-1-4-10-21)28-20-19-25-15-17-26(18-16-25)22-11-5-2-6-12-22;/h1-6,9-12H,7-8,13-20H2;1H.
What are the key properties of 2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
2-(4-phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 4.29, 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-phenylcyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45264309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).