2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine

C11H19N3 — CID 86340522

IUPAC2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine
SMILESC[C@H]1CCCCN1C1C=CC(N)=CN1
InChIInChI=1S/C11H19N3/c1-9-4-2-3-7-14(9)11-6-5-10(12)8-13-11/h5-6,8-9,11,13H,2-4,7,12H2,1H3/t9-,11?/m0/s1
InChIKeyDSAPNGIEFXFSDV-FTNKSUMCSA-N
MW193.29 g/mol
LogP1.15
Rot. Bonds1

About 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine

2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine (PubChem CID 86340522) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine
PubChem CID86340522
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine
SMILESC[C@H]1CCCCN1C1C=CC(N)=CN1
InChIInChI=1S/C11H19N3/c1-9-4-2-3-7-14(9)11-6-5-10(12)8-13-11/h5-6,8-9,11,13H,2-4,7,12H2,1H3/t9-,11?/m0/s1
InChIKeyDSAPNGIEFXFSDV-FTNKSUMCSA-N
XLogP1.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine?
The IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine (CID 86340522) is 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine?
The canonical SMILES for 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine is C[C@H]1CCCCN1C1C=CC(N)=CN1.
What is the InChIKey of 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine?
The InChIKey is DSAPNGIEFXFSDV-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-4-2-3-7-14(9)11-6-5-10(12)8-13-11/h5-6,8-9,11,13H,2-4,7,12H2,1H3/t9-,11?/m0/s1.
What are the key properties of 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine?
2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine has a molecular weight of 193.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpiperidin-1-yl]-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 86340522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).