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

C14H30Cl2N2O2 — CID 18592922

IUPAC1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCC1CCCC1OCC(O)CN1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-12-4-3-5-14(12)18-11-13(17)10-16-8-6-15(2)7-9-16;;/h12-14,17H,3-11H2,1-2H3;2*1H
InChIKeySHRUIOBVDNGDJJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.64
Rot. Bonds5

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

1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 18592922) has the molecular formula C14H30Cl2N2O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
PubChem CID18592922
Molecular FormulaC14H30Cl2N2O2
Molecular Weight329.31 g/mol
Exact Mass328.17
IUPAC Name1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCC1CCCC1OCC(O)CN1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-12-4-3-5-14(12)18-11-13(17)10-16-8-6-15(2)7-9-16;;/h12-14,17H,3-11H2,1-2H3;2*1H
InChIKeySHRUIOBVDNGDJJ-UHFFFAOYSA-N
XLogP1.64
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methylcyclopentyloxy)-1-piperidylpropan-2-ol
CID 16456363
3-[Bis(2-hydroxyethyl)amino]-1-(2-methylcyclopentyloxy)propan-2-ol
CID 16456359
1-(Cyclopentyloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 16876984
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-((2-Methylcyclopentyl)oxy)-3-morpholinopropan-2-ol hydrochloride
CID 18592902
1-((2-Methylcyclopentyl)oxy)-3-(piperidin-1-yl)propan-2-ol hydrochloride
CID 18592904
1-(3,5-Dimethylpiperidin-1-YL)-3-[(2-methylcyclopentyl)oxy]propan-2-OL hydrochloride
CID 18592905
1-(2,6-Dimethylmorpholino)-3-((2-methylcyclopentyl)oxy)propan-2-ol hydrochloride
CID 18592906
1-((2-Methylcyclopentyl)oxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18592907
1-[Bis(2-hydroxyethyl)amino]-3-[(2-methylcyclopentyl)oxy]propan-2-OL hydrochloride
CID 18592912
1-(4-Ethylpiperazin-1-yl)-3-((2-methylcyclopentyl)oxy)propan-2-ol dihydrochloride
CID 18592923

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 18592922) is 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is CC1CCCC1OCC(O)CN1CCN(C)CC1.Cl.Cl.
What is the InChIKey of 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The InChIKey is SHRUIOBVDNGDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.2ClH/c1-12-4-3-5-14(12)18-11-13(17)10-16-8-6-15(2)7-9-16;;/h12-14,17H,3-11H2,1-2H3;2*1H.
What are the key properties of 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 18592922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).