[4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol

C12H19N3O — CID 84788091

IUPAC[4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol
SMILESOCc1cc(CCN2CCNCC2)ccn1
InChIInChI=1S/C12H19N3O/c16-10-12-9-11(1-3-14-12)2-6-15-7-4-13-5-8-15/h1,3,9,13,16H,2,4-8,10H2
InChIKeyMRHKSOVJUYTGSQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.02
Rot. Bonds4

About [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol

[4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol (PubChem CID 84788091) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol
PubChem CID84788091
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol
SMILESOCc1cc(CCN2CCNCC2)ccn1
InChIInChI=1S/C12H19N3O/c16-10-12-9-11(1-3-14-12)2-6-15-7-4-13-5-8-15/h1,3,9,13,16H,2,4-8,10H2
InChIKeyMRHKSOVJUYTGSQ-UHFFFAOYSA-N
XLogP0.02
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol 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

1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
CID 117363225
2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
1-methyl-7-(2-piperazin-1-ylethyl)isoquinoline
CID 117391822
5-(2-piperazin-1-ylethyl)-1,3-benzothiazole
CID 82498602
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
3-(2-piperazin-1-ylethyl)aniline
CID 82071066
1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 8022497
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637

Frequently Asked Questions

What is the IUPAC name of [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol (CID 84788091) is [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol is OCc1cc(CCN2CCNCC2)ccn1.
What is the InChIKey of [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol?
The InChIKey is MRHKSOVJUYTGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-10-12-9-11(1-3-14-12)2-6-15-7-4-13-5-8-15/h1,3,9,13,16H,2,4-8,10H2.
What are the key properties of [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol?
[4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 84788091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).