2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol

C25H34N2O2 — CID 18740038

IUPAC2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N2O2/c28-24-13-7-12-23(24)20-27-16-14-26(15-17-27)18-19-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,23-25,28H,7,12-20H2
InChIKeyWJLCJQFFVFMHDV-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.57
Rot. Bonds8

About 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol

2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol (PubChem CID 18740038) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol
PubChem CID18740038
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N2O2/c28-24-13-7-12-23(24)20-27-16-14-26(15-17-27)18-19-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,23-25,28H,7,12-20H2
InChIKeyWJLCJQFFVFMHDV-UHFFFAOYSA-N
XLogP3.57
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol (CID 18740038) is 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol is OC1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol?
The InChIKey is WJLCJQFFVFMHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c28-24-13-7-12-23(24)20-27-16-14-26(15-17-27)18-19-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,23-25,28H,7,12-20H2.
What are the key properties of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol?
2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol has a molecular weight of 394.56 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 18740038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).