(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol

C13H20N2O2 — CID 106639944

IUPAC(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
SMILESCC(C)Oc1cncc(C(O)C2CCCN2)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)17-11-6-10(7-14-8-11)13(16)12-4-3-5-15-12/h6-9,12-13,15-16H,3-5H2,1-2H3
InChIKeyFOCSFCNRNULPAV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.65
Rot. Bonds4

About (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol

(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol (PubChem CID 106639944) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
PubChem CID106639944
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
SMILESCC(C)Oc1cncc(C(O)C2CCCN2)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)17-11-6-10(7-14-8-11)13(16)12-4-3-5-15-12/h6-9,12-13,15-16H,3-5H2,1-2H3
InChIKeyFOCSFCNRNULPAV-UHFFFAOYSA-N
XLogP1.65
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630
(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 135313109
5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile
CID 57036159
(5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride
CID 178103159
1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560870
3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol
CID 115829399
3-phenyl-5-[1-[(2R)-pyrrolidin-2-yl]ethoxy]pyridine
CID 67605318
(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103277657
pyridin-3-yl(pyrrolidin-2-yl)methanol
CID 22605701
2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 106640253
3-[fluoro(piperidin-2-yl)methyl]-5-methoxypyridine
CID 106634961
2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
CID 103547597

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol (CID 106639944) is (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol is CC(C)Oc1cncc(C(O)C2CCCN2)c1.
What is the InChIKey of (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol?
The InChIKey is FOCSFCNRNULPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)17-11-6-10(7-14-8-11)13(16)12-4-3-5-15-12/h6-9,12-13,15-16H,3-5H2,1-2H3.
What are the key properties of (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol?
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol has a molecular weight of 236.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 106639944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).