4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol

C13H29N3O — CID 114088007

IUPAC4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCN(C)CC1C
InChIInChI=1S/C13H29N3O/c1-11(8-13(3,10-17)14-4)16-7-6-15(5)9-12(16)2/h11-12,14,17H,6-10H2,1-5H3
InChIKeyJCAAYMQCPLYNGV-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds5

About 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol

4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 114088007) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID114088007
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCN(C)CC1C
InChIInChI=1S/C13H29N3O/c1-11(8-13(3,10-17)14-4)16-7-6-15(5)9-12(16)2/h11-12,14,17H,6-10H2,1-5H3
InChIKeyJCAAYMQCPLYNGV-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64786639
2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887307
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 65322079
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentan-1-ol
CID 64789181
2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 113419338
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64790195
2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 64791235
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64825208
2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 79934789
2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64797261
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentan-1-ol
CID 64790464
2-methyl-4-(2-methylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 64792241

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (CID 114088007) is 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CC(C)N1CCN(C)CC1C.
What is the InChIKey of 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is JCAAYMQCPLYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-11(8-13(3,10-17)14-4)16-7-6-15(5)9-12(16)2/h11-12,14,17H,6-10H2,1-5H3.
What are the key properties of 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 114088007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).