2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine

C11H19N3 — CID 86340804

IUPAC2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine
SMILESC[C@H]1CCCN(C2NC=CC=C2N)C1
InChIInChI=1S/C11H19N3/c1-9-4-3-7-14(8-9)11-10(12)5-2-6-13-11/h2,5-6,9,11,13H,3-4,7-8,12H2,1H3/t9-,11?/m0/s1
InChIKeySXBGWPMEAONXPA-FTNKSUMCSA-N
MW193.29 g/mol
LogP1.00
Rot. Bonds1

About 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine

2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine (PubChem CID 86340804) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine
PubChem CID86340804
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine
SMILESC[C@H]1CCCN(C2NC=CC=C2N)C1
InChIInChI=1S/C11H19N3/c1-9-4-3-7-14(8-9)11-10(12)5-2-6-13-11/h2,5-6,9,11,13H,3-4,7-8,12H2,1H3/t9-,11?/m0/s1
InChIKeySXBGWPMEAONXPA-FTNKSUMCSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-piperazin-1-ylethyl)-2H-pyridin-4-amine
CID 19068068
(1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine
CID 89034875
(Z)-2-amino-2-[2-(4-methylpiperidin-1-yl)-1,2-dihydropyridin-6-yl]ethenethiol
CID 89901172
5-(4-Propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine
CID 118969980
2-N'-ethyl-2-N'-(piperidin-4-ylmethyl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine
CID 140397208
(3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine
CID 142124667
(3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine
CID 143745708
(2S)-1-buta-1,3-dien-2-yl-2-(2-methylpropyl)piperazine
CID 144855512
7-piperidin-1-yl-1H-azepin-3-amine
CID 145570686
1-[2-(3,3-dimethylpiperidin-1-yl)propan-2-yl]-2H-pyridin-2-amine
CID 154101987
(2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine
CID 155218170
3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine
CID 155439712

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine?
The IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine (CID 86340804) is 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine.
What is the SMILES notation for 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine?
The canonical SMILES for 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine is C[C@H]1CCCN(C2NC=CC=C2N)C1.
What is the InChIKey of 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine?
The InChIKey is SXBGWPMEAONXPA-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-4-3-7-14(8-9)11-10(12)5-2-6-13-11/h2,5-6,9,11,13H,3-4,7-8,12H2,1H3/t9-,11?/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine?
2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine has a molecular weight of 193.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 86340804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).