methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol

C21H30N2O — CID 160837430

IUPACmethane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESC.Cc1cccc(N2CCN(C(C)C(O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O.CH4/c1-16-7-6-10-19(15-16)22-13-11-21(12-14-22)17(2)20(23)18-8-4-3-5-9-18;/h3-10,15,17,20,23H,11-14H2,1-2H3;1H4
InChIKeySHOWWTRMVGKLQG-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.88
Rot. Bonds4

About methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol

methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol (PubChem CID 160837430) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Namemethane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
PubChem CID160837430
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Namemethane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESC.Cc1cccc(N2CCN(C(C)C(O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O.CH4/c1-16-7-6-10-19(15-16)22-13-11-21(12-14-22)17(2)20(23)18-8-4-3-5-9-18;/h3-10,15,17,20,23H,11-14H2,1-2H3;1H4
InChIKeySHOWWTRMVGKLQG-UHFFFAOYSA-N
XLogP3.88
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
1-[chloro(phenyl)methyl]-4-(3-methylphenyl)piperazine;oxalic acid
CID 160873696
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(1-phenylethyl)propanamide
CID 108962129
4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol
CID 110183923
N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 55471163
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 18124629
3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119837563
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454191
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476

Frequently Asked Questions

What is the IUPAC name of methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol (CID 160837430) is methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol is C.Cc1cccc(N2CCN(C(C)C(O)c3ccccc3)CC2)c1.
What is the InChIKey of methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is SHOWWTRMVGKLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.CH4/c1-16-7-6-10-19(15-16)22-13-11-21(12-14-22)17(2)20(23)18-8-4-3-5-9-18;/h3-10,15,17,20,23H,11-14H2,1-2H3;1H4.
What are the key properties of methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 326.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 160837430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).