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

C12H27N3O — CID 106809070

IUPAC2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol
SMILESCCC(N)(CO)CCCN1CCN(C)CC1
InChIInChI=1S/C12H27N3O/c1-3-12(13,11-16)5-4-6-15-9-7-14(2)8-10-15/h16H,3-11,13H2,1-2H3
InChIKeyRZKSLTGKERMCLN-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.11
Rot. Bonds6

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

2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol (PubChem CID 106809070) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol
PubChem CID106809070
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol
SMILESCCC(N)(CO)CCCN1CCN(C)CC1
InChIInChI=1S/C12H27N3O/c1-3-12(13,11-16)5-4-6-15-9-7-14(2)8-10-15/h16H,3-11,13H2,1-2H3
InChIKeyRZKSLTGKERMCLN-UHFFFAOYSA-N
XLogP0.11
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol
CID 106809046
2-amino-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentan-1-ol
CID 106809852
2-amino-2-ethyl-5-(2-methylmorpholin-4-yl)pentan-1-ol
CID 106809098
3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine
CID 79814472
2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809069
3-[2-(4-methylpiperazin-1-yl)ethoxymethyl]pentan-3-amine
CID 82892100
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-ethylpentan-1-ol
CID 106809115
2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 65256580
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane
CID 145081546
2-amino-2-ethyl-5-[methyl(propyl)amino]pentan-1-ol
CID 106809172
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-amino-2-ethylpentan-1-ol
CID 106809458

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol (CID 106809070) is 2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol is CCC(N)(CO)CCCN1CCN(C)CC1.
What is the InChIKey of 2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol?
The InChIKey is RZKSLTGKERMCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-12(13,11-16)5-4-6-15-9-7-14(2)8-10-15/h16H,3-11,13H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol?
2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol has a molecular weight of 229.37 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol is sourced from PubChem (CID 106809070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).