3-methoxy-2-(piperidin-4-ylmethyl)pyridine

C12H18N2O — CID 103840872

IUPAC3-methoxy-2-(piperidin-4-ylmethyl)pyridine
SMILESCOc1cccnc1CC1CCNCC1
InChIInChI=1S/C12H18N2O/c1-15-12-3-2-6-14-11(12)9-10-4-7-13-8-5-10/h2-3,6,10,13H,4-5,7-9H2,1H3
InChIKeyPSKZWIGOTNMJKM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.63
Rot. Bonds3

About 3-methoxy-2-(piperidin-4-ylmethyl)pyridine

3-methoxy-2-(piperidin-4-ylmethyl)pyridine (PubChem CID 103840872) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methoxy-2-(piperidin-4-ylmethyl)pyridine.

Molecular Properties

Compound Name3-methoxy-2-(piperidin-4-ylmethyl)pyridine
PubChem CID103840872
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methoxy-2-(piperidin-4-ylmethyl)pyridine
SMILESCOc1cccnc1CC1CCNCC1
InChIInChI=1S/C12H18N2O/c1-15-12-3-2-6-14-11(12)9-10-4-7-13-8-5-10/h2-3,6,10,13H,4-5,7-9H2,1H3
InChIKeyPSKZWIGOTNMJKM-UHFFFAOYSA-N
XLogP1.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
3-chloro-2-(piperidin-4-ylmethyl)pyridine
CID 115008688
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
1-(3-methoxy-2-pyridinyl)-N,N-dimethylmethanamine
CID 130666799
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005
4-[3-(2-methoxyphenyl)propyl]piperidine
CID 22751111
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(piperidin-4-ylmethyl)pyridine?
The IUPAC name of 3-methoxy-2-(piperidin-4-ylmethyl)pyridine (CID 103840872) is 3-methoxy-2-(piperidin-4-ylmethyl)pyridine.
What is the SMILES notation for 3-methoxy-2-(piperidin-4-ylmethyl)pyridine?
The canonical SMILES for 3-methoxy-2-(piperidin-4-ylmethyl)pyridine is COc1cccnc1CC1CCNCC1.
What is the InChIKey of 3-methoxy-2-(piperidin-4-ylmethyl)pyridine?
The InChIKey is PSKZWIGOTNMJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-3-2-6-14-11(12)9-10-4-7-13-8-5-10/h2-3,6,10,13H,4-5,7-9H2,1H3.
What are the key properties of 3-methoxy-2-(piperidin-4-ylmethyl)pyridine?
3-methoxy-2-(piperidin-4-ylmethyl)pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(piperidin-4-ylmethyl)pyridine is sourced from PubChem (CID 103840872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).