5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine

C12H20N2 — CID 163518118

IUPAC5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine
SMILESCC1=CN=C(C2CCN(C)CC2)CC1
InChIInChI=1S/C12H20N2/c1-10-3-4-12(13-9-10)11-5-7-14(2)8-6-11/h9,11H,3-8H2,1-2H3
InChIKeyDIMPULGISKACTO-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.47
Rot. Bonds1

About 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine

5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine (PubChem CID 163518118) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine
PubChem CID163518118
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine
SMILESCC1=CN=C(C2CCN(C)CC2)CC1
InChIInChI=1S/C12H20N2/c1-10-3-4-12(13-9-10)11-5-7-14(2)8-6-11/h9,11H,3-8H2,1-2H3
InChIKeyDIMPULGISKACTO-UHFFFAOYSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5-piperidin-4-yl-3,4-dihydropyridine
CID 91019224
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine
CID 138631842
1-Methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
CID 142358594
(4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine
CID 163511107
7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine
CID 163664657
N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine
CID 167004349
CID 173928020
CID 173928020
(Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine
CID 176986357
1-tert-butyl-3-(3H-pyrrol-2-yl)piperidine
CID 157588594
10-ethenylidene-N-heptyl-11-hexyl-N-[3-[(4S)-2-methyl-3,4-dihydropyridin-4-yl]propyl]nonadecan-1-amine
CID 170645853

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine?
The IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine (CID 163518118) is 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine.
What is the SMILES notation for 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine?
The canonical SMILES for 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine is CC1=CN=C(C2CCN(C)CC2)CC1.
What is the InChIKey of 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine?
The InChIKey is DIMPULGISKACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-3-4-12(13-9-10)11-5-7-14(2)8-6-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine?
5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine has a molecular weight of 192.31 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine is sourced from PubChem (CID 163518118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).