2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol

C25H33ClN2O2 — CID 126675607

IUPAC2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(-c3ccc(COC4CCCC4)cc3)c(Cl)c2)CC1
InChIInChI=1S/C25H33ClN2O2/c26-25-17-21(18-28-13-11-27(12-14-28)15-16-29)7-10-24(25)22-8-5-20(6-9-22)19-30-23-3-1-2-4-23/h5-10,17,23,29H,1-4,11-16,18-19H2
InChIKeyQHXGQQQFGREEDI-UHFFFAOYSA-N
MW429.00 g/mol
LogP4.58
Rot. Bonds8

About 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol

2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 126675607) has the molecular formula C25H33ClN2O2 and a molecular weight of 429.00 g/mol. Its IUPAC name is 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID126675607
Molecular FormulaC25H33ClN2O2
Molecular Weight429.00 g/mol
Exact Mass428.22
IUPAC Name2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(-c3ccc(COC4CCCC4)cc3)c(Cl)c2)CC1
InChIInChI=1S/C25H33ClN2O2/c26-25-17-21(18-28-13-11-27(12-14-28)15-16-29)7-10-24(25)22-8-5-20(6-9-22)19-30-23-3-1-2-4-23/h5-10,17,23,29H,1-4,11-16,18-19H2
InChIKeyQHXGQQQFGREEDI-UHFFFAOYSA-N
XLogP4.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.00
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol (CID 126675607) is 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2ccc(-c3ccc(COC4CCCC4)cc3)c(Cl)c2)CC1.
What is the InChIKey of 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is QHXGQQQFGREEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O2/c26-25-17-21(18-28-13-11-27(12-14-28)15-16-29)7-10-24(25)22-8-5-20(6-9-22)19-30-23-3-1-2-4-23/h5-10,17,23,29H,1-4,11-16,18-19H2.
What are the key properties of 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 429.00 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 126675607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).