1-(4-benzhydrylpiperazin-1-yl)butan-2-ol

C21H28N2O — CID 20795195

IUPAC1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-2-20(24)17-22-13-15-23(16-14-22)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,24H,2,13-17H2,1H3
InChIKeyMRSVHPCVBBGYAI-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.16
Rot. Bonds6

About 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol

1-(4-benzhydrylpiperazin-1-yl)butan-2-ol (PubChem CID 20795195) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
PubChem CID20795195
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-2-20(24)17-22-13-15-23(16-14-22)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,24H,2,13-17H2,1H3
InChIKeyMRSVHPCVBBGYAI-UHFFFAOYSA-N
XLogP3.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 6975605
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-ol
CID 2328997
1-(4-benzhydrylpiperazin-1-yl)-3-(2-butan-2-ylphenoxy)propan-2-ol;dihydrochloride
CID 171155114
1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
CID 3072697
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 34065755
1-benzhydryl-4-butylpiperazine
CID 13416419
(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol
CID 95345707
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol (CID 20795195) is 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol is CCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol?
The InChIKey is MRSVHPCVBBGYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-2-20(24)17-22-13-15-23(16-14-22)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,24H,2,13-17H2,1H3.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol?
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol has a molecular weight of 324.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 20795195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).