2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol

C13H29N3O — CID 64798619

IUPAC2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
SMILESCCCN1CCN(CCC(C)(CO)NC)CC1
InChIInChI=1S/C13H29N3O/c1-4-6-15-8-10-16(11-9-15)7-5-13(2,12-17)14-3/h14,17H,4-12H2,1-3H3
InChIKeyVNDSCPYYKABSDW-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds7

About 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol

2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol (PubChem CID 64798619) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
PubChem CID64798619
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
SMILESCCCN1CCN(CCC(C)(CO)NC)CC1
InChIInChI=1S/C13H29N3O/c1-4-6-15-8-10-16(11-9-15)7-5-13(2,12-17)14-3/h14,17H,4-12H2,1-3H3
InChIKeyVNDSCPYYKABSDW-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol (CID 64798619) is 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol is CCCN1CCN(CCC(C)(CO)NC)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol?
The InChIKey is VNDSCPYYKABSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-6-15-8-10-16(11-9-15)7-5-13(2,12-17)14-3/h14,17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol?
2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 64798619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).