1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride

C13H28Cl2N2O2 — CID 16876984

IUPAC1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCN1CCN(CC(O)COC2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H26N2O2.2ClH/c1-14-6-8-15(9-7-14)10-12(16)11-17-13-4-2-3-5-13;;/h12-13,16H,2-11H2,1H3;2*1H
InChIKeyWYSZDCSQRIORGE-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.40
Rot. Bonds5

About 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride

1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 16876984) has the molecular formula C13H28Cl2N2O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
PubChem CID16876984
Molecular FormulaC13H28Cl2N2O2
Molecular Weight315.29 g/mol
Exact Mass314.15
IUPAC Name1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCN1CCN(CC(O)COC2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H26N2O2.2ClH/c1-14-6-8-15(9-7-14)10-12(16)11-17-13-4-2-3-5-13;;/h12-13,16H,2-11H2,1H3;2*1H
InChIKeyWYSZDCSQRIORGE-UHFFFAOYSA-N
XLogP1.40
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Ethyl-1-piperazinyl)-3-isopropoxy-2-propanol dihydrochloride
CID 11958894
Ethyl 4-[3-(cyclopentyloxy)-2-hydroxypropyl]piperazine-1-carboxylate hydrochloride
CID 16876969
3-(Cyclopentyloxy)-1-(2,6-dimethyl-4-morpholinyl)-2-propanol
CID 16876977
1-(Cyclopentyloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 16876986
1-(Cyclopentyloxy)-3-[4-(2-hydroxyethyl)piperazin-1-YL]propan-2-OL dihydrochloride
CID 16876988
1-(Cyclopentyloxy)-3-morpholinopropan-2-ol hydrochloride
CID 16958185
1-(4-Ethylpiperazin-1-yl)-3-((2-methylcyclopentyl)oxy)propan-2-ol dihydrochloride
CID 18592923
1-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-((2-methylcyclopentyl)oxy)propan-2-ol dihydrochloride
CID 18592924
1-Piperazineethanol,4-ethyl-alpha-[(1-methylethoxy)methyl]-(9CI)
CID 2937551
1-Isopropoxy-3-(4-methyl-1-piperazinyl)-2-propanol dihydrochloride
CID 2939091
1-Butoxy-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 16958254
1-(Cyclopentyloxy)-3-(2,6-dimethylmorpholino)propan-2-ol hydrochloride
CID 16876976

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 16876984) is 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is CN1CCN(CC(O)COC2CCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The InChIKey is WYSZDCSQRIORGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.2ClH/c1-14-6-8-15(9-7-14)10-12(16)11-17-13-4-2-3-5-13;;/h12-13,16H,2-11H2,1H3;2*1H.
What are the key properties of 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 315.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 16876984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).