1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine

C13H20ClN3 — CID 55167435

IUPAC1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C13H20ClN3/c1-10(15)12-4-2-3-7-17(12)9-11-5-6-13(14)16-8-11/h5-6,8,10,12H,2-4,7,9,15H2,1H3
InChIKeyAGTGBERIUFLLOD-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.44
Rot. Bonds3

About 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine

1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine (PubChem CID 55167435) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
PubChem CID55167435
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C13H20ClN3/c1-10(15)12-4-2-3-7-17(12)9-11-5-6-13(14)16-8-11/h5-6,8,10,12H,2-4,7,9,15H2,1H3
InChIKeyAGTGBERIUFLLOD-UHFFFAOYSA-N
XLogP2.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120897054
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine
CID 80664621
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
CID 63254456
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
(6-chloro-3-pyridinyl)methyl (2S)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 86329287
1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
CID 119911607
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine (CID 55167435) is 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is AGTGBERIUFLLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-10(15)12-4-2-3-7-17(12)9-11-5-6-13(14)16-8-11/h5-6,8,10,12H,2-4,7,9,15H2,1H3.
What are the key properties of 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 253.78 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 55167435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).