2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol

C15H26N2OS — CID 10214771

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol
SMILESCCC(O)(c1cccs1)C(C)CN1CCN(C)CC1
InChIInChI=1S/C15H26N2OS/c1-4-15(18,14-6-5-11-19-14)13(2)12-17-9-7-16(3)8-10-17/h5-6,11,13,18H,4,7-10,12H2,1-3H3
InChIKeyKDWYALXACAGKJI-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.23
Rot. Bonds5

About 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol

2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol (PubChem CID 10214771) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol
PubChem CID10214771
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol
SMILESCCC(O)(c1cccs1)C(C)CN1CCN(C)CC1
InChIInChI=1S/C15H26N2OS/c1-4-15(18,14-6-5-11-19-14)13(2)12-17-9-7-16(3)8-10-17/h5-6,11,13,18H,4,7-10,12H2,1-3H3
InChIKeyKDWYALXACAGKJI-UHFFFAOYSA-N
XLogP2.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol (CID 10214771) is 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol is CCC(O)(c1cccs1)C(C)CN1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol?
The InChIKey is KDWYALXACAGKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-15(18,14-6-5-11-19-14)13(2)12-17-9-7-16(3)8-10-17/h5-6,11,13,18H,4,7-10,12H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol?
2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol has a molecular weight of 282.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpentan-3-ol is sourced from PubChem (CID 10214771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).