4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol

C17H29N3O — CID 64791800

IUPAC4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H29N3O/c1-15(2)18-16(14-21)8-9-19-10-12-20(13-11-19)17-6-4-3-5-7-17/h3-7,15-16,18,21H,8-14H2,1-2H3
InChIKeyCRGDFMYUPRFTMW-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.56
Rot. Bonds7

About 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol

4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64791800) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64791800
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H29N3O/c1-15(2)18-16(14-21)8-9-19-10-12-20(13-11-19)17-6-4-3-5-7-17/h3-7,15-16,18,21H,8-14H2,1-2H3
InChIKeyCRGDFMYUPRFTMW-UHFFFAOYSA-N
XLogP1.56
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
(2R)-4-[4-(3-methylbutyl)piperazin-1-yl]-1-phenylsulfanyl-N-propan-2-ylbutan-2-amine
CID 155613541
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 111454454
3-(1,3-dihydroisoindol-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64786248
2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride
CID 142749388
1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol
CID 82071149
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 111540277
1-(3-methylbutyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059029
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol (CID 64791800) is 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(CO)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is CRGDFMYUPRFTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-15(2)18-16(14-21)8-9-19-10-12-20(13-11-19)17-6-4-3-5-7-17/h3-7,15-16,18,21H,8-14H2,1-2H3.
What are the key properties of 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64791800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).