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

C16H27N3O — CID 80629932

IUPAC[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
SMILESCC(C)CNCc1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C16H27N3O/c1-13(2)8-17-9-14-5-6-16(18-10-14)19-7-3-4-15(11-19)12-20/h5-6,10,13,15,17,20H,3-4,7-9,11-12H2,1-2H3
InChIKeyPMNVTGSLEBZGOS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.04
Rot. Bonds6

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

[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 80629932) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID80629932
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
SMILESCC(C)CNCc1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C16H27N3O/c1-13(2)8-17-9-14-5-6-16(18-10-14)19-7-3-4-15(11-19)12-20/h5-6,10,13,15,17,20H,3-4,7-9,11-12H2,1-2H3
InChIKeyPMNVTGSLEBZGOS-UHFFFAOYSA-N
XLogP2.04
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040
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-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228184
1-[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836671
N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288556
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228095
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 80632248
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207
[6-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256877
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol (CID 80629932) is [1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol is CC(C)CNCc1ccc(N2CCCC(CO)C2)nc1.
What is the InChIKey of [1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is PMNVTGSLEBZGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)8-17-9-14-5-6-16(18-10-14)19-7-3-4-15(11-19)12-20/h5-6,10,13,15,17,20H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of [1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol?
[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 277.41 g/mol, XLogP of 2.04, 6 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-yl]methanol is sourced from PubChem (CID 80629932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).