[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine

C15H25N3O — CID 63888050

IUPAC[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCCCOC1CCCN(Cc2ccnc(CN)c2)C1
InChIInChI=1S/C15H25N3O/c1-2-8-19-15-4-3-7-18(12-15)11-13-5-6-17-14(9-13)10-16/h5-6,9,15H,2-4,7-8,10-12,16H2,1H3
InChIKeyJHZGMIOKEANLGL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.93
Rot. Bonds6

About [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine

[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 63888050) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID63888050
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCCCOC1CCCN(Cc2ccnc(CN)c2)C1
InChIInChI=1S/C15H25N3O/c1-2-8-19-15-4-3-7-18(12-15)11-13-5-6-17-14(9-13)10-16/h5-6,9,15H,2-4,7-8,10-12,16H2,1H3
InChIKeyJHZGMIOKEANLGL-UHFFFAOYSA-N
XLogP1.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
CID 134697243
1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 63889418
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63888264
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955

Frequently Asked Questions

What is the IUPAC name of [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine (CID 63888050) is [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine is CCCOC1CCCN(Cc2ccnc(CN)c2)C1.
What is the InChIKey of [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is JHZGMIOKEANLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-8-19-15-4-3-7-18(12-15)11-13-5-6-17-14(9-13)10-16/h5-6,9,15H,2-4,7-8,10-12,16H2,1H3.
What are the key properties of [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63888050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).