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

C16H26N4O — CID 143049058

IUPAC1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
SMILESCN1CCC(O)(CN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C16H26N4O/c1-18-8-5-16(21,6-9-18)14-19-10-12-20(13-11-19)15-4-2-3-7-17-15/h2-4,7,21H,5-6,8-14H2,1H3
InChIKeyGQHIWGLAYVSDGV-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.66
Rot. Bonds3

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

1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol (PubChem CID 143049058) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
PubChem CID143049058
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
SMILESCN1CCC(O)(CN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C16H26N4O/c1-18-8-5-16(21,6-9-18)14-19-10-12-20(13-11-19)15-4-2-3-7-17-15/h2-4,7,21H,5-6,8-14H2,1H3
InChIKeyGQHIWGLAYVSDGV-UHFFFAOYSA-N
XLogP0.66
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 175660643
1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 163354464
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol (CID 143049058) is 1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol is CN1CCC(O)(CN2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol?
The InChIKey is GQHIWGLAYVSDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-8-5-16(21,6-9-18)14-19-10-12-20(13-11-19)15-4-2-3-7-17-15/h2-4,7,21H,5-6,8-14H2,1H3.
What are the key properties of 1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol?
1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol has a molecular weight of 290.41 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 143049058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).