2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol

C15H33N3O — CID 106808728

IUPAC2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol
SMILESCCC1CN(CCCC(CC)(CO)NC)CCN1C
InChIInChI=1S/C15H33N3O/c1-5-14-12-18(11-10-17(14)4)9-7-8-15(6-2,13-19)16-3/h14,16,19H,5-13H2,1-4H3
InChIKeyIAVLXPOJDKGLMN-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.15
Rot. Bonds8

About 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol

2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol (PubChem CID 106808728) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol
PubChem CID106808728
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol
SMILESCCC1CN(CCCC(CC)(CO)NC)CCN1C
InChIInChI=1S/C15H33N3O/c1-5-14-12-18(11-10-17(14)4)9-7-8-15(6-2,13-19)16-3/h14,16,19H,5-13H2,1-4H3
InChIKeyIAVLXPOJDKGLMN-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(methylamino)-5-pyrrolidin-1-ylpentan-1-ol
CID 106809047
2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol
CID 106808752
5-(4,4-diethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106808882
2-ethyl-5-(2-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809858
2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809648
2-ethyl-5-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)pentan-1-ol
CID 106809961
2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
CID 64790790
6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295738
2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol
CID 106809681
2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol
CID 64787261
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 65257902
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79360842

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol (CID 106808728) is 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol is CCC1CN(CCCC(CC)(CO)NC)CCN1C.
What is the InChIKey of 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol?
The InChIKey is IAVLXPOJDKGLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-5-14-12-18(11-10-17(14)4)9-7-8-15(6-2,13-19)16-3/h14,16,19H,5-13H2,1-4H3.
What are the key properties of 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol?
2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol has a molecular weight of 271.45 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 106808728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).