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

C15H32Cl2N2O3 — CID 18592783

IUPAC1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(CC(O)COC2CCCCC2)CC1
InChIInChI=1S/C15H30N2O3.2ClH/c18-11-10-16-6-8-17(9-7-16)12-14(19)13-20-15-4-2-1-3-5-15;;/h14-15,18-19H,1-13H2;2*1H
InChIKeyUAFBEIJVTFZZAK-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.15
Rot. Bonds7

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

1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride (PubChem CID 18592783) has the molecular formula C15H32Cl2N2O3 and a molecular weight of 359.34 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
PubChem CID18592783
Molecular FormulaC15H32Cl2N2O3
Molecular Weight359.34 g/mol
Exact Mass358.18
IUPAC Name1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(CC(O)COC2CCCCC2)CC1
InChIInChI=1S/C15H30N2O3.2ClH/c18-11-10-16-6-8-17(9-7-16)12-14(19)13-20-15-4-2-1-3-5-15;;/h14-15,18-19H,1-13H2;2*1H
InChIKeyUAFBEIJVTFZZAK-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propanol, 1-cyclohexyloxy-(1-piperidyl)-
CID 566776
1-(Cyclohexyloxy)-3-(2,6-dimethyl-4-morpholinyl)-2-propanol hydrochloride
CID 18592780
1-(Cyclopentyloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 16876984
1-(Cyclopentyloxy)-3-[4-(2-hydroxyethyl)piperazin-1-YL]propan-2-OL dihydrochloride
CID 16876988
1-(Cyclohexyloxy)-3-(2,6-dimethylmorpholino)propan-2-ol hydrochloride
CID 18592779
3-Cyclohexyloxy-1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazinyl]propan-2-ol
CID 3130416
1-(Cyclopentyloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 16876986
1-Butoxy-3-(4-methylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 16958253
1-Butoxy-3-(4-(2-hydroxyethyl)piperazin-1-yl)propan-2-ol dihydrochloride
CID 16958263
1-Cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 44782533
1-Cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 44782553
1-Cyclohexyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 44782589

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The IUPAC name of 1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride (CID 18592783) is 1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride is Cl.Cl.OCCN1CCN(CC(O)COC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The InChIKey is UAFBEIJVTFZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3.2ClH/c18-11-10-16-6-8-17(9-7-16)12-14(19)13-20-15-4-2-1-3-5-15;;/h14-15,18-19H,1-13H2;2*1H.
What are the key properties of 1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride has a molecular weight of 359.34 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride is sourced from PubChem (CID 18592783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).