N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine

C15H25N3 — CID 63847232

IUPACN-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(CCc2ccccn2)C1
InChIInChI=1S/C15H25N3/c1-2-16-12-14-6-5-10-18(13-14)11-8-15-7-3-4-9-17-15/h3-4,7,9,14,16H,2,5-6,8,10-13H2,1H3
InChIKeyYIWFJIKITUKDFC-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.95
Rot. Bonds6

About N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine

N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 63847232) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
PubChem CID63847232
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(CCc2ccccn2)C1
InChIInChI=1S/C15H25N3/c1-2-16-12-14-6-5-10-18(13-14)11-8-15-7-3-4-9-17-15/h3-4,7,9,14,16H,2,5-6,8,10-13H2,1H3
InChIKeyYIWFJIKITUKDFC-UHFFFAOYSA-N
XLogP1.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
2-[2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 95707838
2-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 56906648
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
CID 95227434
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 95211899
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
2-methyl-1-[(1-propylpyrrolidin-3-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192210
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine (CID 63847232) is N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(CCc2ccccn2)C1.
What is the InChIKey of N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is YIWFJIKITUKDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-16-12-14-6-5-10-18(13-14)11-8-15-7-3-4-9-17-15/h3-4,7,9,14,16H,2,5-6,8,10-13H2,1H3.
What are the key properties of N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63847232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).