3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol

C13H20N2O — CID 153422486

IUPAC3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol
SMILESCC(C)c1ccc(N2CCC(C)(O)C2)cn1
InChIInChI=1S/C13H20N2O/c1-10(2)12-5-4-11(8-14-12)15-7-6-13(3,16)9-15/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyNUTPSFMJUOYTRR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.17
Rot. Bonds2

About 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol

3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol (PubChem CID 153422486) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol
PubChem CID153422486
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol
SMILESCC(C)c1ccc(N2CCC(C)(O)C2)cn1
InChIInChI=1S/C13H20N2O/c1-10(2)12-5-4-11(8-14-12)15-7-6-13(3,16)9-15/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyNUTPSFMJUOYTRR-UHFFFAOYSA-N
XLogP2.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356557
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
CID 121261462
1-(6-propan-2-yl-3-pyridinyl)azepane
CID 156651925
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
CID 107405251
1-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356747
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol
CID 133410682
1-[4-[(1S)-1-aminoethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356537
3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725176
(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83131740
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319031
1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanol
CID 83131559

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol (CID 153422486) is 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol is CC(C)c1ccc(N2CCC(C)(O)C2)cn1.
What is the InChIKey of 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol?
The InChIKey is NUTPSFMJUOYTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12-5-4-11(8-14-12)15-7-6-13(3,16)9-15/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol?
3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 153422486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).