(3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol

C11H16N2O — CID 126982374

IUPAC(3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol
SMILESCC1(c2ccncc2)CCNC1CO
InChIInChI=1S/C11H16N2O/c1-11(4-7-13-10(11)8-14)9-2-5-12-6-3-9/h2-3,5-6,10,13-14H,4,7-8H2,1H3
InChIKeyBOOFAVBRYUCTDE-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.69
Rot. Bonds2

About (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol

(3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol (PubChem CID 126982374) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol
PubChem CID126982374
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol
SMILESCC1(c2ccncc2)CCNC1CO
InChIInChI=1S/C11H16N2O/c1-11(4-7-13-10(11)8-14)9-2-5-12-6-3-9/h2-3,5-6,10,13-14H,4,7-8H2,1H3
InChIKeyBOOFAVBRYUCTDE-UHFFFAOYSA-N
XLogP0.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine
CID 62753369
2-ethyl-3-(4-ethylphenyl)-3-methylpyrrolidine
CID 62352613
2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine
CID 55191908
3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
CID 55111942
3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
CID 62763100
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
ethyl 4-methyl-4-pyridin-4-ylpyrrolidine-3-carboxylate
CID 114486700
3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine
CID 80524018
4-(1-tert-butylcyclopropyl)pyridine
CID 59574595
ethane;4-(1-methylcyclopentyl)pyridine
CID 144662823
3-pyridin-4-ylazetidin-3-ol
CID 83681885
2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine
CID 62355189

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol?
The IUPAC name of (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol (CID 126982374) is (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol is CC1(c2ccncc2)CCNC1CO.
What is the InChIKey of (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol?
The InChIKey is BOOFAVBRYUCTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(4-7-13-10(11)8-14)9-2-5-12-6-3-9/h2-3,5-6,10,13-14H,4,7-8H2,1H3.
What are the key properties of (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol?
(3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol has a molecular weight of 192.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 126982374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).