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

C12H18N2O — CID 131702809

IUPAC4-[(3-methoxypiperidin-1-yl)methyl]pyridine
SMILESCOC1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C12H18N2O/c1-15-12-3-2-8-14(10-12)9-11-4-6-13-7-5-11/h4-7,12H,2-3,8-10H2,1H3
InChIKeyWBCXWLNYFBCWHZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.69
Rot. Bonds3

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

4-[(3-methoxypiperidin-1-yl)methyl]pyridine (PubChem CID 131702809) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(3-methoxypiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(3-methoxypiperidin-1-yl)methyl]pyridine
PubChem CID131702809
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-[(3-methoxypiperidin-1-yl)methyl]pyridine
SMILESCOC1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C12H18N2O/c1-15-12-3-2-8-14(10-12)9-11-4-6-13-7-5-11/h4-7,12H,2-3,8-10H2,1H3
InChIKeyWBCXWLNYFBCWHZ-UHFFFAOYSA-N
XLogP1.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 102968242
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373
3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964608

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypiperidin-1-yl)methyl]pyridine?
The IUPAC name of 4-[(3-methoxypiperidin-1-yl)methyl]pyridine (CID 131702809) is 4-[(3-methoxypiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(3-methoxypiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(3-methoxypiperidin-1-yl)methyl]pyridine is COC1CCCN(Cc2ccncc2)C1.
What is the InChIKey of 4-[(3-methoxypiperidin-1-yl)methyl]pyridine?
The InChIKey is WBCXWLNYFBCWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-3-2-8-14(10-12)9-11-4-6-13-7-5-11/h4-7,12H,2-3,8-10H2,1H3.
What are the key properties of 4-[(3-methoxypiperidin-1-yl)methyl]pyridine?
4-[(3-methoxypiperidin-1-yl)methyl]pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 131702809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).