4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol

C17H35N3O — CID 172575949

IUPAC4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(CCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H35N3O/c1-16(2)20-10-7-17(21,8-11-20)6-4-5-9-19-14-12-18(3)13-15-19/h16,21H,4-15H2,1-3H3
InChIKeyYPFPSUWMVNEJRM-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.64
Rot. Bonds6

About 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol

4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol (PubChem CID 172575949) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol
PubChem CID172575949
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(CCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H35N3O/c1-16(2)20-10-7-17(21,8-11-20)6-4-5-9-19-14-12-18(3)13-15-19/h16,21H,4-15H2,1-3H3
InChIKeyYPFPSUWMVNEJRM-UHFFFAOYSA-N
XLogP1.64
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-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

4-nonyl-1-propan-2-ylpiperidin-4-ol
CID 65146910
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
4-(2-cyclopropylethyl)-1-propan-2-ylpiperidin-4-ol
CID 106590391
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite
CID 155039158
4-butyl-1-methylpiperidin-4-ol;ethane
CID 171492369
4-(4-methylpentyl)-1-propylpiperidin-4-ol
CID 83158060
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol (CID 172575949) is 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)(CCCCN2CCN(C)CC2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol?
The InChIKey is YPFPSUWMVNEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-16(2)20-10-7-17(21,8-11-20)6-4-5-9-19-14-12-18(3)13-15-19/h16,21H,4-15H2,1-3H3.
What are the key properties of 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol?
4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol has a molecular weight of 297.49 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperazin-1-yl)butyl]-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 172575949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).