1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol

C16H27N3OS — CID 83979406

IUPAC1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
SMILESCC1CN(C(CN2CCC(O)CC2)c2cccs2)CCN1
InChIInChI=1S/C16H27N3OS/c1-13-11-19(9-6-17-13)15(16-3-2-10-21-16)12-18-7-4-14(20)5-8-18/h2-3,10,13-15,17,20H,4-9,11-12H2,1H3
InChIKeyLZQSPLIYVAMIFS-UHFFFAOYSA-N
MW309.48 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol

1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol (PubChem CID 83979406) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
PubChem CID83979406
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
SMILESCC1CN(C(CN2CCC(O)CC2)c2cccs2)CCN1
InChIInChI=1S/C16H27N3OS/c1-13-11-19(9-6-17-13)15(16-3-2-10-21-16)12-18-7-4-14(20)5-8-18/h2-3,10,13-15,17,20H,4-9,11-12H2,1H3
InChIKeyLZQSPLIYVAMIFS-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol (CID 83979406) is 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol is CC1CN(C(CN2CCC(O)CC2)c2cccs2)CCN1.
What is the InChIKey of 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol?
The InChIKey is LZQSPLIYVAMIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-13-11-19(9-6-17-13)15(16-3-2-10-21-16)12-18-7-4-14(20)5-8-18/h2-3,10,13-15,17,20H,4-9,11-12H2,1H3.
What are the key properties of 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol?
1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol has a molecular weight of 309.48 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol is sourced from PubChem (CID 83979406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).