5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine

C12H20N2 — CID 145106243

IUPAC5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine
SMILESCC1CCCN(CC2=CCCN=C2)C1
InChIInChI=1S/C12H20N2/c1-11-4-3-7-14(9-11)10-12-5-2-6-13-8-12/h5,8,11H,2-4,6-7,9-10H2,1H3
InChIKeyPQYMMSPIDLTOAZ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.12
Rot. Bonds2

About 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine

5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine (PubChem CID 145106243) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine
PubChem CID145106243
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine
SMILESCC1CCCN(CC2=CCCN=C2)C1
InChIInChI=1S/C12H20N2/c1-11-4-3-7-14(9-11)10-12-5-2-6-13-8-12/h5,8,11H,2-4,6-7,9-10H2,1H3
InChIKeyPQYMMSPIDLTOAZ-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine
CID 90937325
N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
CID 123885206
5-Methyl-2-piperidin-1-yl-2,3-dihydropyridine
CID 129215968
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine
CID 134433362
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886822
4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
CID 143059291
ethane;(Z)-N-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]but-2-en-1-imine
CID 144185321
1-Methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine
CID 145198151
4-(1-Methylpiperidin-4-yl)-2,3-dihydropyridine
CID 146641297
(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886823

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine?
The IUPAC name of 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine (CID 145106243) is 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine.
What is the SMILES notation for 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine?
The canonical SMILES for 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine is CC1CCCN(CC2=CCCN=C2)C1.
What is the InChIKey of 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine?
The InChIKey is PQYMMSPIDLTOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-4-3-7-14(9-11)10-12-5-2-6-13-8-12/h5,8,11H,2-4,6-7,9-10H2,1H3.
What are the key properties of 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine?
5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine has a molecular weight of 192.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydropyridine is sourced from PubChem (CID 145106243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).