3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C11H16N2O — CID 103729349

IUPAC3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccncc2)C1
InChIInChI=1S/C11H16N2O/c1-11(14)4-7-13(9-11)8-10-2-5-12-6-3-10/h2-3,5-6,14H,4,7-9H2,1H3
InChIKeyDDRBEDMVUGDDQW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.04
Rot. Bonds2

About 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol

3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 103729349) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID103729349
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccncc2)C1
InChIInChI=1S/C11H16N2O/c1-11(14)4-7-13(9-11)8-10-2-5-12-6-3-10/h2-3,5-6,14H,4,7-9H2,1H3
InChIKeyDDRBEDMVUGDDQW-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 117012382
1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103358276
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 103356372
1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728462
1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
CID 130536247
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 124989292
1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728690
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 103729349) is 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol is CC1(O)CCN(Cc2ccncc2)C1.
What is the InChIKey of 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is DDRBEDMVUGDDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(14)4-7-13(9-11)8-10-2-5-12-6-3-10/h2-3,5-6,14H,4,7-9H2,1H3.
What are the key properties of 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 103729349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).