1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine

C12H22N2 — CID 114410563

IUPAC1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCC1(CN2CC=CCC2)CCCCN1
InChIInChI=1S/C12H22N2/c1-12(7-3-4-8-13-12)11-14-9-5-2-6-10-14/h2,5,13H,3-4,6-11H2,1H3
InChIKeyXIHLEIGFBBATFH-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.78
Rot. Bonds2

About 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine

1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 114410563) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID114410563
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCC1(CN2CC=CCC2)CCCCN1
InChIInChI=1S/C12H22N2/c1-12(7-3-4-8-13-12)11-14-9-5-2-6-10-14/h2,5,13H,3-4,6-11H2,1H3
InChIKeyXIHLEIGFBBATFH-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-[(2-methylpiperidin-2-yl)methyl]-8-azaspiro[4.5]decane
CID 113430623
4-[(2-methylpiperidin-2-yl)methyl]morpholine
CID 104594654
N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine
CID 104595053
1-methyl-4-[(2-methylpiperidin-2-yl)methyl]-1,4-diazepane
CID 104594729
2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole
CID 104595002
N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]piperidin-4-amine
CID 104594786
1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine
CID 114410666
4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane
CID 104595033
3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 104595156
2-[(3,3-diethylpyrrolidin-1-yl)methyl]-2-methylpiperidine
CID 104595182
2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine
CID 104594775
1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine
CID 104595017

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine (CID 114410563) is 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine is CC1(CN2CC=CCC2)CCCCN1.
What is the InChIKey of 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is XIHLEIGFBBATFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(7-3-4-8-13-12)11-14-9-5-2-6-10-14/h2,5,13H,3-4,6-11H2,1H3.
What are the key properties of 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 194.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114410563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).