N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C15H25N3 — CID 55055040

IUPACN-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC1CCCN(c2cc(CNC(C)C)ccn2)C1
InChIInChI=1S/C15H25N3/c1-12(2)17-10-14-6-7-16-15(9-14)18-8-4-5-13(3)11-18/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3
InChIKeyQCJIVZMBWXSKQV-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.82
Rot. Bonds4

About N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 55055040) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID55055040
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC1CCCN(c2cc(CNC(C)C)ccn2)C1
InChIInChI=1S/C15H25N3/c1-12(2)17-10-14-6-7-16-15(9-14)18-8-4-5-13(3)11-18/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3
InChIKeyQCJIVZMBWXSKQV-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 63169108
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62288369
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 79934229
N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 55059346
(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35323796
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114172687
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589213
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 55055040) is N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC1CCCN(c2cc(CNC(C)C)ccn2)C1.
What is the InChIKey of N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is QCJIVZMBWXSKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)17-10-14-6-7-16-15(9-14)18-8-4-5-13(3)11-18/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 55055040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).