2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine

C13H21N3O — CID 129323119

IUPAC2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine
SMILESCCOC[C@@H]1CCCCN1c1ncccc1N
InChIInChI=1S/C13H21N3O/c1-2-17-10-11-6-3-4-9-16(11)13-12(14)7-5-8-15-13/h5,7-8,11H,2-4,6,9-10,14H2,1H3/t11-/m0/s1
InChIKeyCETALFSSBXRFDK-NSHDSACASA-N
MW235.33 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine

2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine (PubChem CID 129323119) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine
PubChem CID129323119
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine
SMILESCCOC[C@@H]1CCCCN1c1ncccc1N
InChIInChI=1S/C13H21N3O/c1-2-17-10-11-6-3-4-9-16(11)13-12(14)7-5-8-15-13/h5,7-8,11H,2-4,6,9-10,14H2,1H3/t11-/m0/s1
InChIKeyCETALFSSBXRFDK-NSHDSACASA-N
XLogP2.06
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906
3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine
CID 57034400
[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 113371134
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine
CID 122152956
2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyridin-3-ol
CID 97169524
[1-[3-(aminomethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 61407036
3-(2-propylpiperidin-1-yl)pyrazin-2-amine
CID 104577126
1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone
CID 114055606
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
CID 80662154
4-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 79915702

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine (CID 129323119) is 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine is CCOC[C@@H]1CCCCN1c1ncccc1N.
What is the InChIKey of 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine?
The InChIKey is CETALFSSBXRFDK-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-17-10-11-6-3-4-9-16(11)13-12(14)7-5-8-15-13/h5,7-8,11H,2-4,6,9-10,14H2,1H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine?
2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 129323119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).