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

C14H30Cl2N2O2 — CID 44782553

IUPAC1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCN1CCN(CC(O)COC2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-15-7-9-16(10-8-15)11-13(17)12-18-14-5-3-2-4-6-14;;/h13-14,17H,2-12H2,1H3;2*1H
InChIKeyDDHMAKMEHDDKQK-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.79
Rot. Bonds5

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

1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 44782553) has the molecular formula C14H30Cl2N2O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
PubChem CID44782553
Molecular FormulaC14H30Cl2N2O2
Molecular Weight329.31 g/mol
Exact Mass328.17
IUPAC Name1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCN1CCN(CC(O)COC2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-15-7-9-16(10-8-15)11-13(17)12-18-14-5-3-2-4-6-14;;/h13-14,17H,2-12H2,1H3;2*1H
InChIKeyDDHMAKMEHDDKQK-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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
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
1-[4-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 6541610
3-Cyclohexyloxy-1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazinyl]propan-2-ol
CID 3130416
1-Butoxy-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 16958254
1-[4-(3-Cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone
CID 3151631
1-Cyclopentyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 16876985
1-(Cyclopentyloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 16876986

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 44782553) is 1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is CN1CCN(CC(O)COC2CCCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The InChIKey is DDHMAKMEHDDKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.2ClH/c1-15-7-9-16(10-8-15)11-13(17)12-18-14-5-3-2-4-6-14;;/h13-14,17H,2-12H2,1H3;2*1H.
What are the key properties of 1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 44782553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).