2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol

C16H35N3O — CID 64796479

IUPAC2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N1CCN(CCC)CC1
InChIInChI=1S/C16H35N3O/c1-5-7-17-16(4,14-20)13-15(3)19-11-9-18(8-6-2)10-12-19/h15,17,20H,5-14H2,1-4H3
InChIKeyIICHEGGBNCIKNJ-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.54
Rot. Bonds9

About 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol

2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol (PubChem CID 64796479) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
PubChem CID64796479
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N1CCN(CCC)CC1
InChIInChI=1S/C16H35N3O/c1-5-7-17-16(4,14-20)13-15(3)19-11-9-18(8-6-2)10-12-19/h15,17,20H,5-14H2,1-4H3
InChIKeyIICHEGGBNCIKNJ-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol with MolForge

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Related Compounds

2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)pentan-1-ol
CID 64787060
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol
CID 104961364
1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
CID 64820469
2-methyl-4-morpholin-4-yl-2-(propylamino)butan-1-ol
CID 64795842
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-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
CID 64725762
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide
CID 64726163
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64790816
2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
CID 64798619
4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide
CID 62772520
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64809659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol (CID 64796479) is 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol is CCCNC(C)(CO)CC(C)N1CCN(CCC)CC1.
What is the InChIKey of 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol?
The InChIKey is IICHEGGBNCIKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-5-7-17-16(4,14-20)13-15(3)19-11-9-18(8-6-2)10-12-19/h15,17,20H,5-14H2,1-4H3.
What are the key properties of 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol?
2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol has a molecular weight of 285.48 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol is sourced from PubChem (CID 64796479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).