2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol

C17H29N3OS — CID 82201737

IUPAC2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1C(CN1CCNCC1)c1cccs1
InChIInChI=1S/C17H29N3OS/c21-12-6-15-4-1-2-9-20(15)16(17-5-3-13-22-17)14-19-10-7-18-8-11-19/h3,5,13,15-16,18,21H,1-2,4,6-12,14H2
InChIKeyBUTWXYGBEFESBS-UHFFFAOYSA-N
MW323.51 g/mol
LogP1.93
Rot. Bonds6

About 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol

2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol (PubChem CID 82201737) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
PubChem CID82201737
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1C(CN1CCNCC1)c1cccs1
InChIInChI=1S/C17H29N3OS/c21-12-6-15-4-1-2-9-20(15)16(17-5-3-13-22-17)14-19-10-7-18-8-11-19/h3,5,13,15-16,18,21H,1-2,4,6-12,14H2
InChIKeyBUTWXYGBEFESBS-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-amino-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 55021562
2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 82215012
3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid
CID 82134042
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol
CID 82201748
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527
[1-(1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
CID 115311578
1-(2-thiophen-2-ylsulfanylpropyl)piperazine
CID 117035710
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
2-[1-[2-amino-1-(3-fluorophenyl)ethyl]piperidin-2-yl]ethanol
CID 55020773
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol (CID 82201737) is 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol is OCCC1CCCCN1C(CN1CCNCC1)c1cccs1.
What is the InChIKey of 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol?
The InChIKey is BUTWXYGBEFESBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c21-12-6-15-4-1-2-9-20(15)16(17-5-3-13-22-17)14-19-10-7-18-8-11-19/h3,5,13,15-16,18,21H,1-2,4,6-12,14H2.
What are the key properties of 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol?
2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol has a molecular weight of 323.51 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 82201737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).