4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol

C17H29N3O — CID 112721252

IUPAC4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol
SMILESCCCN1CCN(c2ccc(NCCCCO)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-2-10-19-11-13-20(14-12-19)17-7-5-16(6-8-17)18-9-3-4-15-21/h5-8,18,21H,2-4,9-15H2,1H3
InChIKeyPLIIPQSCEACSNO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.40
Rot. Bonds8

About 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol

4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol (PubChem CID 112721252) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol.

Molecular Properties

Compound Name4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol
PubChem CID112721252
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol
SMILESCCCN1CCN(c2ccc(NCCCCO)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-2-10-19-11-13-20(14-12-19)17-7-5-16(6-8-17)18-9-3-4-15-21/h5-8,18,21H,2-4,9-15H2,1H3
InChIKeyPLIIPQSCEACSNO-UHFFFAOYSA-N
XLogP2.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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'}

Analyze 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4-ethylpiperazin-1-yl)anilino]pentan-1-ol
CID 112721979
2-[4-(4-propylpiperazin-1-yl)anilino]ethanethiol
CID 112721270
4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol
CID 112721082
N-butyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721980
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
N-(2-phenylethyl)-4-(4-propylpiperazin-1-yl)aniline
CID 112721256
[4-[4-(3-hydroxypropyl)piperazin-1-yl]anilino]methanesulfonic acid
CID 175239692
N-benzyl-4-(4-propylpiperazin-1-yl)aniline
CID 112721259
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
N-butyl-4-morpholin-4-ylaniline
CID 28675754
4-[4-(4-hydroxybutyl)piperazin-1-yl]benzenesulfonic acid
CID 91297710

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol?
The IUPAC name of 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol (CID 112721252) is 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol.
What is the SMILES notation for 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol?
The canonical SMILES for 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol is CCCN1CCN(c2ccc(NCCCCO)cc2)CC1.
What is the InChIKey of 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol?
The InChIKey is PLIIPQSCEACSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-10-19-11-13-20(14-12-19)17-7-5-16(6-8-17)18-9-3-4-15-21/h5-8,18,21H,2-4,9-15H2,1H3.
What are the key properties of 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol?
4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol is sourced from PubChem (CID 112721252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).