[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol

C12H20N2O2 — CID 114525688

IUPAC[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCCCN(C)C)c(CO)n1
InChIInChI=1S/C12H20N2O2/c1-10-5-6-12(11(9-15)13-10)16-8-4-7-14(2)3/h5-6,15H,4,7-9H2,1-3H3
InChIKeyWEVDWQSRPNCUSR-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.21
Rot. Bonds6

About [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol

[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol (PubChem CID 114525688) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
PubChem CID114525688
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCCCN(C)C)c(CO)n1
InChIInChI=1S/C12H20N2O2/c1-10-5-6-12(11(9-15)13-10)16-8-4-7-14(2)3/h5-6,15H,4,7-9H2,1-3H3
InChIKeyWEVDWQSRPNCUSR-UHFFFAOYSA-N
XLogP1.21
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanol
CID 79158379
3-[3-(dimethylamino)propoxy]-6-methylpyridin-2-amine
CID 114524613
[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
CID 79158678
4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol
CID 79356219
[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol
CID 79156315
3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
CID 110168512
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79158019
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide
CID 79157642
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
CID 79157830

Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol (CID 114525688) is [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol is Cc1ccc(OCCCN(C)C)c(CO)n1.
What is the InChIKey of [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol?
The InChIKey is WEVDWQSRPNCUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-5-6-12(11(9-15)13-10)16-8-4-7-14(2)3/h5-6,15H,4,7-9H2,1-3H3.
What are the key properties of [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol?
[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol has a molecular weight of 224.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 114525688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).