1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

C23H38N2O2 — CID 3296218

IUPAC1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H38N2O2/c1-18(2)22-10-9-19(3)15-23(22)27-17-21(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-8,18-19,21-23,26H,9-17H2,1-3H3
InChIKeyNGGKDTCGSHXTLI-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.65
Rot. Bonds7

About 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 3296218) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID3296218
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H38N2O2/c1-18(2)22-10-9-19(3)15-23(22)27-17-21(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-8,18-19,21-23,26H,9-17H2,1-3H3
InChIKeyNGGKDTCGSHXTLI-UHFFFAOYSA-N
XLogP3.65
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol with MolForge

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Related Compounds

Fluciprazine
CID 216227
1-(Cyclohexyloxy)-3-[4-(4-methylphenyl)-1-piperazinyl]-2-propanol
CID 2931390
1-(Cyclohexyloxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
CID 2933098
1-[(4-Tert-butylcyclohexyl)oxy]-3-(4-phenyl-1-piperazinyl)-2-propanol dihydrochloride
CID 9550615
1-[4-(4-Fluorophenyl)-1-piperazinyl]-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol
CID 2891703
CID 11958898
CID 11958898
1-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)-3-((1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol hydrochloride
CID 16807258
1-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(((1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol hydrochloride
CID 18593490
1-(2-Methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 645604
1-[(1-Ethynylcyclohexyl)oxy]-3-[4-(2-fluorophenyl)-1-piperazinyl]-2-propanol dihydrochloride
CID 16805662
1-(Adamantan-1-yloxy)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol hydrochloride
CID 18592882
1-(1-Adamantanyloxy)-3-{4-[m-(trifluoromethyl)phenyl]-1-piperazinyl}-2-propanol
CID 18592883

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 3296218) is 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is CC1CCC(C(C)C)C(OCC(O)CN2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is NGGKDTCGSHXTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-18(2)22-10-9-19(3)15-23(22)27-17-21(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-8,18-19,21-23,26H,9-17H2,1-3H3.
What are the key properties of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 374.57 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3296218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).