2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol

C12H18N2O — CID 164586756

IUPAC2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol
SMILESCc1ccnc(N2CC(C(C)(C)O)C2)c1
InChIInChI=1S/C12H18N2O/c1-9-4-5-13-11(6-9)14-7-10(8-14)12(2,3)15/h4-6,10,15H,7-8H2,1-3H3
InChIKeyKBHAAWKIYCIJSX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds2

About 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol

2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol (PubChem CID 164586756) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol
PubChem CID164586756
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol
SMILESCc1ccnc(N2CC(C(C)(C)O)C2)c1
InChIInChI=1S/C12H18N2O/c1-9-4-5-13-11(6-9)14-7-10(8-14)12(2,3)15/h4-6,10,15H,7-8H2,1-3H3
InChIKeyKBHAAWKIYCIJSX-UHFFFAOYSA-N
XLogP1.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 164587109
3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 164926889
2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine
CID 130948414
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183869
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
N-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-amine
CID 62547429
3-methyl-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 79868133
tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
N-[[1-(4-methyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 62592708
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 114961622
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol (CID 164586756) is 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol is Cc1ccnc(N2CC(C(C)(C)O)C2)c1.
What is the InChIKey of 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol?
The InChIKey is KBHAAWKIYCIJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-5-13-11(6-9)14-7-10(8-14)12(2,3)15/h4-6,10,15H,7-8H2,1-3H3.
What are the key properties of 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol?
2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol has a molecular weight of 206.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol is sourced from PubChem (CID 164586756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).