5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol

C20H34N4O — CID 110923901

IUPAC5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CCCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H34N4O/c25-16-5-1-4-10-22-11-6-7-19(17-22)18-23-12-14-24(15-13-23)20-8-2-3-9-21-20/h2-3,8-9,19,25H,1,4-7,10-18H2
InChIKeyAIRGPXSOGFTVHH-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.08
Rot. Bonds8

About 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol

5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol (PubChem CID 110923901) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
PubChem CID110923901
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CCCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H34N4O/c25-16-5-1-4-10-22-11-6-7-19(17-22)18-23-12-14-24(15-13-23)20-8-2-3-9-21-20/h2-3,8-9,19,25H,1,4-7,10-18H2
InChIKeyAIRGPXSOGFTVHH-UHFFFAOYSA-N
XLogP2.08
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614
methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465
3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 97283542
3-[1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72923350
3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376
oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 167859480
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
2-chloro-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133279639

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol?
The IUPAC name of 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol (CID 110923901) is 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol is OCCCCCN1CCCC(CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol?
The InChIKey is AIRGPXSOGFTVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c25-16-5-1-4-10-22-11-6-7-19(17-22)18-23-12-14-24(15-13-23)20-8-2-3-9-21-20/h2-3,8-9,19,25H,1,4-7,10-18H2.
What are the key properties of 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol?
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol has a molecular weight of 346.52 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 110923901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).