1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

C20H32N2O2 — CID 2931390

IUPAC1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccc(N2CCN(CC(O)COC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O2/c1-17-7-9-18(10-8-17)22-13-11-21(12-14-22)15-19(23)16-24-20-5-3-2-4-6-20/h7-10,19-20,23H,2-6,11-16H2,1H3
InChIKeyUXUFAUJVKULPJG-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.83
Rot. Bonds6

About 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 2931390) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
PubChem CID2931390
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccc(N2CCN(CC(O)COC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O2/c1-17-7-9-18(10-8-17)22-13-11-21(12-14-22)15-19(23)16-24-20-5-3-2-4-6-20/h7-10,19-20,23H,2-6,11-16H2,1H3
InChIKeyUXUFAUJVKULPJG-UHFFFAOYSA-N
XLogP2.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (CID 2931390) is 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is Cc1ccc(N2CCN(CC(O)COC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is UXUFAUJVKULPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-17-7-9-18(10-8-17)22-13-11-21(12-14-22)15-19(23)16-24-20-5-3-2-4-6-20/h7-10,19-20,23H,2-6,11-16H2,1H3.
What are the key properties of 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2931390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).