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

C15H25N3O — CID 80630100

IUPAC[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
SMILESCCNCc1cnc(N2CCCC(CO)C2)c(C)c1
InChIInChI=1S/C15H25N3O/c1-3-16-8-14-7-12(2)15(17-9-14)18-6-4-5-13(10-18)11-19/h7,9,13,16,19H,3-6,8,10-11H2,1-2H3
InChIKeyUCAOABWVZGGRNM-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.71
Rot. Bonds5

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

[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 80630100) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID80630100
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
SMILESCCNCc1cnc(N2CCCC(CO)C2)c(C)c1
InChIInChI=1S/C15H25N3O/c1-3-16-8-14-7-12(2)15(17-9-14)18-6-4-5-13(10-18)11-19/h7,9,13,16,19H,3-6,8,10-11H2,1-2H3
InChIKeyUCAOABWVZGGRNM-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80631004
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
CID 80630199
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-4-yl]methanol
CID 80629576
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80636109
2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228161
N-[[6-(4-cyclopropylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80630513
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
N-[[5-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 106589185
N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 102961607
N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80638418
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
CID 107080495
N-[[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80630583

Frequently Asked Questions

What is the IUPAC name of [1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol (CID 80630100) is [1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol is CCNCc1cnc(N2CCCC(CO)C2)c(C)c1.
What is the InChIKey of [1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is UCAOABWVZGGRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-16-8-14-7-12(2)15(17-9-14)18-6-4-5-13(10-18)11-19/h7,9,13,16,19H,3-6,8,10-11H2,1-2H3.
What are the key properties of [1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol?
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 80630100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).