1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride

C14H30Cl2N2O3 — CID 16876988

IUPAC1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(CC(O)COC2CCCC2)CC1
InChIInChI=1S/C14H28N2O3.2ClH/c17-10-9-15-5-7-16(8-6-15)11-13(18)12-19-14-3-1-2-4-14;;/h13-14,17-18H,1-12H2;2*1H
InChIKeyRDCRIZWXIUOSNW-UHFFFAOYSA-N
MW345.31 g/mol
LogP0.76
Rot. Bonds7

About 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride

1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride (PubChem CID 16876988) has the molecular formula C14H30Cl2N2O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
PubChem CID16876988
Molecular FormulaC14H30Cl2N2O3
Molecular Weight345.31 g/mol
Exact Mass344.16
IUPAC Name1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(CC(O)COC2CCCC2)CC1
InChIInChI=1S/C14H28N2O3.2ClH/c17-10-9-15-5-7-16(8-6-15)11-13(18)12-19-14-3-1-2-4-14;;/h13-14,17-18H,1-12H2;2*1H
InChIKeyRDCRIZWXIUOSNW-UHFFFAOYSA-N
XLogP0.76
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride 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 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The IUPAC name of 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride (CID 16876988) is 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride is Cl.Cl.OCCN1CCN(CC(O)COC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The InChIKey is RDCRIZWXIUOSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3.2ClH/c17-10-9-15-5-7-16(8-6-15)11-13(18)12-19-14-3-1-2-4-14;;/h13-14,17-18H,1-12H2;2*1H.
What are the key properties of 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride has a molecular weight of 345.31 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride is sourced from PubChem (CID 16876988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).