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

C20H27N3O — CID 3056406

IUPAC1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccccc1N1CCN(CC(O)CNc2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c1-17-7-5-6-10-20(17)23-13-11-22(12-14-23)16-19(24)15-21-18-8-3-2-4-9-18/h2-10,19,21,24H,11-16H2,1H3
InChIKeyQZLNDNJHBUXJPT-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.59
Rot. Bonds6

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

1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 3056406) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
PubChem CID3056406
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccccc1N1CCN(CC(O)CNc2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c1-17-7-5-6-10-20(17)23-13-11-22(12-14-23)16-19(24)15-21-18-8-3-2-4-9-18/h2-10,19,21,24H,11-16H2,1H3
InChIKeyQZLNDNJHBUXJPT-UHFFFAOYSA-N
XLogP2.59
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol (CID 3056406) is 1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol is Cc1ccccc1N1CCN(CC(O)CNc2ccccc2)CC1.
What is the InChIKey of 1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is QZLNDNJHBUXJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-17-7-5-6-10-20(17)23-13-11-22(12-14-23)16-19(24)15-21-18-8-3-2-4-9-18/h2-10,19,21,24H,11-16H2,1H3.
What are the key properties of 1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol?
1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 325.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3056406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).