2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol

C17H37N3O — CID 64787060

IUPAC2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C17H37N3O/c1-6-7-18-17(5,14-21)12-16(4)20-10-8-19(9-11-20)13-15(2)3/h15-16,18,21H,6-14H2,1-5H3
InChIKeyYXVBCPPMBWXKNG-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.79
Rot. Bonds9

About 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol

2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol (PubChem CID 64787060) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol
PubChem CID64787060
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C17H37N3O/c1-6-7-18-17(5,14-21)12-16(4)20-10-8-19(9-11-20)13-15(2)3/h15-16,18,21H,6-14H2,1-5H3
InChIKeyYXVBCPPMBWXKNG-UHFFFAOYSA-N
XLogP1.79
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-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

2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
CID 64796479
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol
CID 104961364
2-methyl-4-(2-methylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 64792241
2-methyl-2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 64792291
2-(ethylamino)-2-methyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 64787059
4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol
CID 64810680
2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile
CID 64727115
3-(azepan-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64795636
3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine
CID 62778148
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide
CID 62778180
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64790816
3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64788397

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol (CID 64787060) is 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)N1CCN(CC(C)C)CC1.
What is the InChIKey of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol?
The InChIKey is YXVBCPPMBWXKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-6-7-18-17(5,14-21)12-16(4)20-10-8-19(9-11-20)13-15(2)3/h15-16,18,21H,6-14H2,1-5H3.
What are the key properties of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol?
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64787060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).