1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol

C14H22N2O2 — CID 114338611

IUPAC1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCOc1ncccc1CN1CCCC1CC(C)O
InChIInChI=1S/C14H22N2O2/c1-11(17)9-13-6-4-8-16(13)10-12-5-3-7-15-14(12)18-2/h3,5,7,11,13,17H,4,6,8-10H2,1-2H3
InChIKeyMJXXSPYGRPGUFZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds5

About 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol

1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 114338611) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID114338611
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCOc1ncccc1CN1CCCC1CC(C)O
InChIInChI=1S/C14H22N2O2/c1-11(17)9-13-6-4-8-16(13)10-12-5-3-7-15-14(12)18-2/h3,5,7,11,13,17H,4,6,8-10H2,1-2H3
InChIKeyMJXXSPYGRPGUFZ-UHFFFAOYSA-N
XLogP1.83
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate
CID 100698900
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 102880149
1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol
CID 175497522
N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine
CID 83100593
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
2-[(2-methoxy-3-pyridinyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115965
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321893
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
(3aS,6aR)-4-[(2-methoxy-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124789644

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol (CID 114338611) is 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol is COc1ncccc1CN1CCCC1CC(C)O.
What is the InChIKey of 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is MJXXSPYGRPGUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(17)9-13-6-4-8-16(13)10-12-5-3-7-15-14(12)18-2/h3,5,7,11,13,17H,4,6,8-10H2,1-2H3.
What are the key properties of 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol?
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).