1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol

C16H26N4O — CID 83978977

IUPAC1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol
SMILESOC1CCN(CC(c2cccnc2)N2CCNCC2)CC1
InChIInChI=1S/C16H26N4O/c21-15-3-8-19(9-4-15)13-16(14-2-1-5-18-12-14)20-10-6-17-7-11-20/h1-2,5,12,15-17,21H,3-4,6-11,13H2
InChIKeyYSIAGOMEPGJIBR-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.48
Rot. Bonds4

About 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol

1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol (PubChem CID 83978977) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol
PubChem CID83978977
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol
SMILESOC1CCN(CC(c2cccnc2)N2CCNCC2)CC1
InChIInChI=1S/C16H26N4O/c21-15-3-8-19(9-4-15)13-16(14-2-1-5-18-12-14)20-10-6-17-7-11-20/h1-2,5,12,15-17,21H,3-4,6-11,13H2
InChIKeyYSIAGOMEPGJIBR-UHFFFAOYSA-N
XLogP0.48
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol 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-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767
1-[(1R)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine
CID 171287680
1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171275053
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
1-[(1S)-1-pyridin-3-ylpentyl]piperazine
CID 171308841
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
CID 171287672
1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol
CID 82286657
N,N-diethyl-2-piperazin-1-yl-1-pyridin-3-ylethanamine
CID 82201783
1-[(1S)-2,2-difluoro-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171287666
3-(1-piperidin-4-ylpropyl)pyridine
CID 83908701

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol?
The IUPAC name of 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol (CID 83978977) is 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol?
The canonical SMILES for 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol is OC1CCN(CC(c2cccnc2)N2CCNCC2)CC1.
What is the InChIKey of 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol?
The InChIKey is YSIAGOMEPGJIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-15-3-8-19(9-4-15)13-16(14-2-1-5-18-12-14)20-10-6-17-7-11-20/h1-2,5,12,15-17,21H,3-4,6-11,13H2.
What are the key properties of 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol?
1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol has a molecular weight of 290.41 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol is sourced from PubChem (CID 83978977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).