2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol

C17H28N4O — CID 762879

IUPAC2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C17H28N4O/c22-14-13-19-9-11-21(12-10-19)17-4-7-20(8-5-17)15-16-3-1-2-6-18-16/h1-3,6,17,22H,4-5,7-15H2
InChIKeyLBGDNVNRFRDHOQ-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.66
Rot. Bonds5

About 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 762879) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
PubChem CID762879
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C17H28N4O/c22-14-13-19-9-11-21(12-10-19)17-4-7-20(8-5-17)15-16-3-1-2-6-18-16/h1-3,6,17,22H,4-5,7-15H2
InChIKeyLBGDNVNRFRDHOQ-UHFFFAOYSA-N
XLogP0.66
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-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

1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
CID 787081
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 754265
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979
[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 91795995
5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine
CID 72908565
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol (CID 762879) is 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(C2CCN(Cc3ccccn3)CC2)CC1.
What is the InChIKey of 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is LBGDNVNRFRDHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c22-14-13-19-9-11-21(12-10-19)17-4-7-20(8-5-17)15-16-3-1-2-6-18-16/h1-3,6,17,22H,4-5,7-15H2.
What are the key properties of 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 304.44 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 762879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).