4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol

C14H31N3O — CID 64790816

IUPAC4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCN(C)C(C)C1
InChIInChI=1S/C14H31N3O/c1-6-15-14(4,11-18)9-12(2)17-8-7-16(5)13(3)10-17/h12-13,15,18H,6-11H2,1-5H3
InChIKeyGMTGRXYJHKKJIQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds6

About 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol

4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64790816) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64790816
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCN(C)C(C)C1
InChIInChI=1S/C14H31N3O/c1-6-15-14(4,11-18)9-12(2)17-8-7-16(5)13(3)10-17/h12-13,15,18H,6-11H2,1-5H3
InChIKeyGMTGRXYJHKKJIQ-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,5-Trimethyl-piperidin-4-ylamino)-butan-1-ol
CID 6486630
2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol
CID 171359648
2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol
CID 175633265
2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64789500
2-Methyl-2-(propan-2-ylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790096
2-Methyl-2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790295
2-Methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64790495
2-(Ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790690
2-(Ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64792486
2-Methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64792487
2-(Cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64792488
2-(Ethylamino)-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol
CID 65545540

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol (CID 64790816) is 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CC(C)N1CCN(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is GMTGRXYJHKKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-15-14(4,11-18)9-12(2)17-8-7-16(5)13(3)10-17/h12-13,15,18H,6-11H2,1-5H3.
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64790816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).