4-[(2-methylpiperidin-1-yl)methyl]pyridine

C12H18N2 — CID 43810656

IUPAC4-[(2-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCCN1Cc1ccncc1
InChIInChI=1S/C12H18N2/c1-11-4-2-3-9-14(11)10-12-5-7-13-8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyDPAXLMQSSWVKQW-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.46
Rot. Bonds2

About 4-[(2-methylpiperidin-1-yl)methyl]pyridine

4-[(2-methylpiperidin-1-yl)methyl]pyridine (PubChem CID 43810656) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(2-methylpiperidin-1-yl)methyl]pyridine
PubChem CID43810656
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-[(2-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCCN1Cc1ccncc1
InChIInChI=1S/C12H18N2/c1-11-4-2-3-9-14(11)10-12-5-7-13-8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyDPAXLMQSSWVKQW-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 4-[(2-methylpiperidin-1-yl)methyl]pyridine (CID 43810656) is 4-[(2-methylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(2-methylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(2-methylpiperidin-1-yl)methyl]pyridine is CC1CCCCN1Cc1ccncc1.
What is the InChIKey of 4-[(2-methylpiperidin-1-yl)methyl]pyridine?
The InChIKey is DPAXLMQSSWVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-4-2-3-9-14(11)10-12-5-7-13-8-6-12/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 4-[(2-methylpiperidin-1-yl)methyl]pyridine?
4-[(2-methylpiperidin-1-yl)methyl]pyridine has a molecular weight of 190.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 43810656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).