1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol

C14H22N2O — CID 59799485

IUPAC1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
SMILESCN1CCN(CC(O)Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-15-7-9-16(10-8-15)12-14(17)11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
InChIKeySEQWDRHSNFMXHW-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.84
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol

1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol (PubChem CID 59799485) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
PubChem CID59799485
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
SMILESCN1CCN(CC(O)Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-15-7-9-16(10-8-15)12-14(17)11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
InChIKeySEQWDRHSNFMXHW-UHFFFAOYSA-N
XLogP0.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 92573641
1-(4-methylpiperazin-1-yl)-2-phenylethanol
CID 173220641
1-(2-benzylbutyl)-4-methylpiperazine;ethane
CID 90910266
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110884353
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide
CID 166191408
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-(4-benzylpiperazin-1-yl)-3-bromopropan-2-ol
CID 112561170
(2R)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 97191698

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol (CID 59799485) is 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol is CN1CCN(CC(O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol?
The InChIKey is SEQWDRHSNFMXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-7-9-16(10-8-15)12-14(17)11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol?
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol is sourced from PubChem (CID 59799485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).