4-[(3-methylpiperidin-1-yl)methyl]pyridine

C12H18N2 — CID 121401070

IUPAC4-[(3-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C12H18N2/c1-11-3-2-8-14(9-11)10-12-4-6-13-7-5-12/h4-7,11H,2-3,8-10H2,1H3
InChIKeyOIFOFENNMLDFLX-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.31
Rot. Bonds2

About 4-[(3-methylpiperidin-1-yl)methyl]pyridine

4-[(3-methylpiperidin-1-yl)methyl]pyridine (PubChem CID 121401070) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-[(3-methylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(3-methylpiperidin-1-yl)methyl]pyridine
PubChem CID121401070
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-[(3-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C12H18N2/c1-11-3-2-8-14(9-11)10-12-4-6-13-7-5-12/h4-7,11H,2-3,8-10H2,1H3
InChIKeyOIFOFENNMLDFLX-UHFFFAOYSA-N
XLogP2.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methylpiperidine
CID 2794856
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzaldehyde
CID 97294026

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 4-[(3-methylpiperidin-1-yl)methyl]pyridine (CID 121401070) is 4-[(3-methylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(3-methylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(3-methylpiperidin-1-yl)methyl]pyridine is CC1CCCN(Cc2ccncc2)C1.
What is the InChIKey of 4-[(3-methylpiperidin-1-yl)methyl]pyridine?
The InChIKey is OIFOFENNMLDFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-3-2-8-14(9-11)10-12-4-6-13-7-5-12/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 4-[(3-methylpiperidin-1-yl)methyl]pyridine?
4-[(3-methylpiperidin-1-yl)methyl]pyridine has a molecular weight of 190.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 121401070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).