4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol

C17H29N3O — CID 112721082

IUPAC4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol
SMILESCC(C)N1CCN(c2ccc(NCCCCO)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-15(2)19-10-12-20(13-11-19)17-7-5-16(6-8-17)18-9-3-4-14-21/h5-8,15,18,21H,3-4,9-14H2,1-2H3
InChIKeyKZPLDNVYDZMCRX-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.40
Rot. Bonds7

About 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol

4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol (PubChem CID 112721082) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol.

Molecular Properties

Compound Name4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol
PubChem CID112721082
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol
SMILESCC(C)N1CCN(c2ccc(NCCCCO)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-15(2)19-10-12-20(13-11-19)17-7-5-16(6-8-17)18-9-3-4-14-21/h5-8,15,18,21H,3-4,9-14H2,1-2H3
InChIKeyKZPLDNVYDZMCRX-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine
CID 83955073
5-[4-(4-ethylpiperazin-1-yl)anilino]pentan-1-ol
CID 112721979
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol
CID 112721252
1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine
CID 83955031
N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721147
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721153
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
N-butyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721980
2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502704

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol?
The IUPAC name of 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol (CID 112721082) is 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol.
What is the SMILES notation for 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol?
The canonical SMILES for 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol is CC(C)N1CCN(c2ccc(NCCCCO)cc2)CC1.
What is the InChIKey of 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol?
The InChIKey is KZPLDNVYDZMCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-15(2)19-10-12-20(13-11-19)17-7-5-16(6-8-17)18-9-3-4-14-21/h5-8,15,18,21H,3-4,9-14H2,1-2H3.
What are the key properties of 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol?
4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol is sourced from PubChem (CID 112721082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).