1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol

C15H25N3O — CID 80630040

IUPAC1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(C)CNCc1ccc(N2CCCC(O)C2)nc1
InChIInChI=1S/C15H25N3O/c1-12(2)8-16-9-13-5-6-15(17-10-13)18-7-3-4-14(19)11-18/h5-6,10,12,14,16,19H,3-4,7-9,11H2,1-2H3
InChIKeyUZKQIJBWMJSWSR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.79
Rot. Bonds5

About 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol

1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 80630040) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
PubChem CID80630040
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(C)CNCc1ccc(N2CCCC(O)C2)nc1
InChIInChI=1S/C15H25N3O/c1-12(2)8-16-9-13-5-6-15(17-10-13)18-7-3-4-14(19)11-18/h5-6,10,12,14,16,19H,3-4,7-9,11H2,1-2H3
InChIKeyUZKQIJBWMJSWSR-UHFFFAOYSA-N
XLogP1.79
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
CID 80629932
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
2-methyl-N-[[6-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 63625251
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
1-[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836671
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207
N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288556
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 80632248
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635677
2-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228184
N-[[6-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62287146

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol (CID 80630040) is 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol is CC(C)CNCc1ccc(N2CCCC(O)C2)nc1.
What is the InChIKey of 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is UZKQIJBWMJSWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)8-16-9-13-5-6-15(17-10-13)18-7-3-4-14(19)11-18/h5-6,10,12,14,16,19H,3-4,7-9,11H2,1-2H3.
What are the key properties of 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol?
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 80630040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).