[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol

C13H18N2O2 — CID 114412419

IUPAC[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
SMILESCOCC1=CCN(c2ncccc2CO)CC1
InChIInChI=1S/C13H18N2O2/c1-17-10-11-4-7-15(8-5-11)13-12(9-16)3-2-6-14-13/h2-4,6,16H,5,7-10H2,1H3
InChIKeyZRBDOVDGIDVJAO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.36
Rot. Bonds4

About [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol

[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol (PubChem CID 114412419) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
PubChem CID114412419
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
SMILESCOCC1=CCN(c2ncccc2CO)CC1
InChIInChI=1S/C13H18N2O2/c1-17-10-11-4-7-15(8-5-11)13-12(9-16)3-2-6-14-13/h2-4,6,16H,5,7-10H2,1H3
InChIKeyZRBDOVDGIDVJAO-UHFFFAOYSA-N
XLogP1.36
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone
CID 114055607
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 114412833
(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
CID 114056413
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylpyridine-3-carboxylic acid
CID 114413607
3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carboxylic acid
CID 107063089
[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol
CID 114411439
3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile
CID 107058535
[2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61421598
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanol
CID 61257905
[2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol
CID 114413877
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid
CID 107554479
5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
CID 114410182

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol (CID 114412419) is [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol is COCC1=CCN(c2ncccc2CO)CC1.
What is the InChIKey of [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol?
The InChIKey is ZRBDOVDGIDVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-10-11-4-7-15(8-5-11)13-12(9-16)3-2-6-14-13/h2-4,6,16H,5,7-10H2,1H3.
What are the key properties of [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol?
[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol has a molecular weight of 234.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 114412419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).