[2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine

C12H21N3 — CID 86340842

IUPAC[2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine
SMILESC[C@@H]1CCCN(C2C=CC(CN)=CN2)C1
InChIInChI=1S/C12H21N3/c1-10-3-2-6-15(9-10)12-5-4-11(7-13)8-14-12/h4-5,8,10,12,14H,2-3,6-7,9,13H2,1H3/t10-,12?/m1/s1
InChIKeySSVCKOMPCGGOBT-RWANSRKNSA-N
MW207.32 g/mol
LogP1.05
Rot. Bonds2

About [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine

[2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine (PubChem CID 86340842) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine
PubChem CID86340842
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name[2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine
SMILESC[C@@H]1CCCN(C2C=CC(CN)=CN2)C1
InChIInChI=1S/C12H21N3/c1-10-3-2-6-15(9-10)12-5-4-11(7-13)8-14-12/h4-5,8,10,12,14H,2-3,6-7,9,13H2,1H3/t10-,12?/m1/s1
InChIKeySSVCKOMPCGGOBT-RWANSRKNSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine?
The IUPAC name of [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine (CID 86340842) is [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine.
What is the SMILES notation for [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine?
The canonical SMILES for [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine is C[C@@H]1CCCN(C2C=CC(CN)=CN2)C1.
What is the InChIKey of [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine?
The InChIKey is SSVCKOMPCGGOBT-RWANSRKNSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-3-2-6-15(9-10)12-5-4-11(7-13)8-14-12/h4-5,8,10,12,14H,2-3,6-7,9,13H2,1H3/t10-,12?/m1/s1.
What are the key properties of [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine?
[2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-5-yl]methanamine is sourced from PubChem (CID 86340842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).