[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol

C11H16N2O — CID 94407847

IUPAC[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
SMILESCc1ccnc(N2CC[C@H](CO)C2)c1
InChIInChI=1S/C11H16N2O/c1-9-2-4-12-11(6-9)13-5-3-10(7-13)8-14/h2,4,6,10,14H,3,5,7-8H2,1H3/t10-/m0/s1
InChIKeyUGMJLSWKQYCUIO-JTQLQIEISA-N
MW192.26 g/mol
LogP1.21
Rot. Bonds2

About [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol

[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol (PubChem CID 94407847) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
PubChem CID94407847
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
SMILESCc1ccnc(N2CC[C@H](CO)C2)c1
InChIInChI=1S/C11H16N2O/c1-9-2-4-12-11(6-9)13-5-3-10(7-13)8-14/h2,4,6,10,14H,3,5,7-8H2,1H3/t10-/m0/s1
InChIKeyUGMJLSWKQYCUIO-JTQLQIEISA-N
XLogP1.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 170578415
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 112626014
N-[[1-(4-methyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 62592708
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride
CID 22064868
tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
3-methyl-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 79868133
2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593726
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 114961622
N-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-amine
CID 62547429

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol (CID 94407847) is [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol is Cc1ccnc(N2CC[C@H](CO)C2)c1.
What is the InChIKey of [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol?
The InChIKey is UGMJLSWKQYCUIO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-2-4-12-11(6-9)13-5-3-10(7-13)8-14/h2,4,6,10,14H,3,5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol?
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 94407847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).