1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

C24H41ClN2O2 — CID 11958898

IUPAC1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCN(Cc3ccccc3)CC2)C1.Cl
InChIInChI=1S/C24H40N2O2.ClH/c1-19(2)23-10-9-20(3)15-24(23)28-18-22(27)17-26-13-11-25(12-14-26)16-21-7-5-4-6-8-21;/h4-8,19-20,22-24,27H,9-18H2,1-3H3;1H
InChIKeyXBOZTIIMNYBNSZ-UHFFFAOYSA-N
MW425.06 g/mol
LogP4.06
Rot. Bonds8

About 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (PubChem CID 11958898) has the molecular formula C24H41ClN2O2 and a molecular weight of 425.06 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
PubChem CID11958898
Molecular FormulaC24H41ClN2O2
Molecular Weight425.06 g/mol
Exact Mass424.29
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCN(Cc3ccccc3)CC2)C1.Cl
InChIInChI=1S/C24H40N2O2.ClH/c1-19(2)23-10-9-20(3)15-24(23)28-18-22(27)17-26-13-11-25(12-14-26)16-21-7-5-4-6-8-21;/h4-8,19-20,22-24,27H,9-18H2,1-3H3;1H
InChIKeyXBOZTIIMNYBNSZ-UHFFFAOYSA-N
XLogP4.06
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.06
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride with MolForge

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Related Compounds

1-(Dibenzylamino)-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 155765665
1-(4-Benzylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol;hydrochloride
CID 12006242
CID 16196804
CID 16196804
1-(4-Benzyl-1-piperazinyl)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol dihydrochloride
CID 11958907
1-[4-(Diphenylmethyl)-1-piperazinyl]-3-isopropoxy-2-propanol dihydrochloride
CID 16189400
4-[4-(Morpholin-4-ylmethyl)phenyl]cyclohexan-1-ol
CID 21843690
1-(cyclohexylmethoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 90335143
1-(2-((3r,5r,7r)-Adamantan-1-yl)ethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 16806817
1-(4-benzhydrylpiperazin-1-yl)-3-((1R,4S)-bicyclo[2.2.1]heptan-2-ylmethoxy)propan-2-ol dihydrochloride
CID 45283748
1-(3,4-dihydro-2(1H)-isoquinolinyl)-3-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-propanol
CID 4678342
1-(4-Benzyl-1-piperazinyl)-3-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-propanol dihydrochloride
CID 2867090
(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'-trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluoro-3-methylbutan-2-ol
CID 11661576

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (CID 11958898) is 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is CC1CCC(C(C)C)C(OCC(O)CN2CCN(Cc3ccccc3)CC2)C1.Cl.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The InChIKey is XBOZTIIMNYBNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O2.ClH/c1-19(2)23-10-9-20(3)15-24(23)28-18-22(27)17-26-13-11-25(12-14-26)16-21-7-5-4-6-8-21;/h4-8,19-20,22-24,27H,9-18H2,1-3H3;1H.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride has a molecular weight of 425.06 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 11958898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).