1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride

C15H32Cl2N2O3 — CID 18592924

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride
SMILESCC1CCCC1OCC(O)CN1CCN(CCO)CC1.Cl.Cl
InChIInChI=1S/C15H30N2O3.2ClH/c1-13-3-2-4-15(13)20-12-14(19)11-17-7-5-16(6-8-17)9-10-18;;/h13-15,18-19H,2-12H2,1H3;2*1H
InChIKeyBUFNJQODJYLOIJ-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.01
Rot. Bonds7

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

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride (PubChem CID 18592924) has the molecular formula C15H32Cl2N2O3 and a molecular weight of 359.34 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride
PubChem CID18592924
Molecular FormulaC15H32Cl2N2O3
Molecular Weight359.34 g/mol
Exact Mass358.18
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride
SMILESCC1CCCC1OCC(O)CN1CCN(CCO)CC1.Cl.Cl
InChIInChI=1S/C15H30N2O3.2ClH/c1-13-3-2-4-15(13)20-12-14(19)11-17-7-5-16(6-8-17)9-10-18;;/h13-15,18-19H,2-12H2,1H3;2*1H
InChIKeyBUFNJQODJYLOIJ-UHFFFAOYSA-N
XLogP1.01
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride (CID 18592924) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride is CC1CCCC1OCC(O)CN1CCN(CCO)CC1.Cl.Cl.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride?
The InChIKey is BUFNJQODJYLOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3.2ClH/c1-13-3-2-4-15(13)20-12-14(19)11-17-7-5-16(6-8-17)9-10-18;;/h13-15,18-19H,2-12H2,1H3;2*1H.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride has a molecular weight of 359.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylcyclopentyl)oxypropan-2-ol;dihydrochloride is sourced from PubChem (CID 18592924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).