[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol

C12H18N2O2 — CID 102740402

IUPAC[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol
SMILESCN(CCOc1cc(CO)ccn1)C1CC1
InChIInChI=1S/C12H18N2O2/c1-14(11-2-3-11)6-7-16-12-8-10(9-15)4-5-13-12/h4-5,8,11,15H,2-3,6-7,9H2,1H3
InChIKeySOIGLVHADBTUFQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.05
Rot. Bonds6

About [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol

[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol (PubChem CID 102740402) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol
PubChem CID102740402
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol
SMILESCN(CCOc1cc(CO)ccn1)C1CC1
InChIInChI=1S/C12H18N2O2/c1-14(11-2-3-11)6-7-16-12-8-10(9-15)4-5-13-12/h4-5,8,11,15H,2-3,6-7,9H2,1H3
InChIKeySOIGLVHADBTUFQ-UHFFFAOYSA-N
XLogP1.05
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol?
The IUPAC name of [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol (CID 102740402) is [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol?
The canonical SMILES for [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol is CN(CCOc1cc(CO)ccn1)C1CC1.
What is the InChIKey of [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol?
The InChIKey is SOIGLVHADBTUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(11-2-3-11)6-7-16-12-8-10(9-15)4-5-13-12/h4-5,8,11,15H,2-3,6-7,9H2,1H3.
What are the key properties of [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol?
[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol has a molecular weight of 222.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol is sourced from PubChem (CID 102740402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).