3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol

C14H31N3O — CID 114357274

IUPAC3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol
SMILESCCC1CN(C(CO)C(N)CC(C)C)CCN1C
InChIInChI=1S/C14H31N3O/c1-5-12-9-17(7-6-16(12)4)14(10-18)13(15)8-11(2)3/h11-14,18H,5-10,15H2,1-4H3
InChIKeyBQPSVXGUILFWKE-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.75
Rot. Bonds6

About 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol

3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol (PubChem CID 114357274) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol
PubChem CID114357274
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol
SMILESCCC1CN(C(CO)C(N)CC(C)C)CCN1C
InChIInChI=1S/C14H31N3O/c1-5-12-9-17(7-6-16(12)4)14(10-18)13(15)8-11(2)3/h11-14,18H,5-10,15H2,1-4H3
InChIKeyBQPSVXGUILFWKE-UHFFFAOYSA-N
XLogP0.75
TPSA52.73 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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol (CID 114357274) is 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol is CCC1CN(C(CO)C(N)CC(C)C)CCN1C.
What is the InChIKey of 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol?
The InChIKey is BQPSVXGUILFWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-12-9-17(7-6-16(12)4)14(10-18)13(15)8-11(2)3/h11-14,18H,5-10,15H2,1-4H3.
What are the key properties of 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol?
3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 114357274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).