4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol

C14H31N3O — CID 64790195

IUPAC4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCC1CN(C(C)CC(C)(CO)NC)CCN1C
InChIInChI=1S/C14H31N3O/c1-6-13-10-17(8-7-16(13)5)12(2)9-14(3,11-18)15-4/h12-13,15,18H,6-11H2,1-5H3
InChIKeyAOBYFEQKDJXTGY-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds6

About 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol

4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64790195) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64790195
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCC1CN(C(C)CC(C)(CO)NC)CCN1C
InChIInChI=1S/C14H31N3O/c1-6-13-10-17(8-7-16(13)5)12(2)9-14(3,11-18)15-4/h12-13,15,18H,6-11H2,1-5H3
InChIKeyAOBYFEQKDJXTGY-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

4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64726134
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64790816
2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 113419338
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine
CID 63620150
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64827462
3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 63619642
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentan-1-ol
CID 64789181
4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 114088007
3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63608814
4-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 55215458
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
CID 79409074

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (CID 64790195) is 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is CCC1CN(C(C)CC(C)(CO)NC)CCN1C.
What is the InChIKey of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is AOBYFEQKDJXTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-13-10-17(8-7-16(13)5)12(2)9-14(3,11-18)15-4/h12-13,15,18H,6-11H2,1-5H3.
What are the key properties of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-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-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64790195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).