1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

C19H30N2O2 — CID 2933098

IUPAC1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COC1CCCCC1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c22-18(16-23-19-9-5-2-6-10-19)15-20-11-13-21(14-12-20)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,22H,2,5-6,9-16H2
InChIKeyOJTKYAINSUZXFS-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.52
Rot. Bonds6

About 1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 2933098) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID2933098
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COC1CCCCC1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c22-18(16-23-19-9-5-2-6-10-19)15-20-11-13-21(14-12-20)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,22H,2,5-6,9-16H2
InChIKeyOJTKYAINSUZXFS-UHFFFAOYSA-N
XLogP2.52
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 2933098) is 1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is OC(COC1CCCCC1)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is OJTKYAINSUZXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-18(16-23-19-9-5-2-6-10-19)15-20-11-13-21(14-12-20)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,22H,2,5-6,9-16H2.
What are the key properties of 1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-cyclohexyloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 318.46 g/mol, XLogP of 2.52, 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-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 2933098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).