[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol

C12H18N2O — CID 105066909

IUPAC[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
SMILESCC1CN(c2cnccc2CO)CC1C
InChIInChI=1S/C12H18N2O/c1-9-6-14(7-10(9)2)12-5-13-4-3-11(12)8-15/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyPWYYRDVKEXZURM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.67
Rot. Bonds2

About [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol

[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol (PubChem CID 105066909) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
PubChem CID105066909
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
SMILESCC1CN(c2cnccc2CO)CC1C
InChIInChI=1S/C12H18N2O/c1-9-6-14(7-10(9)2)12-5-13-4-3-11(12)8-15/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyPWYYRDVKEXZURM-UHFFFAOYSA-N
XLogP1.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol (CID 105066909) is [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol is CC1CN(c2cnccc2CO)CC1C.
What is the InChIKey of [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol?
The InChIKey is PWYYRDVKEXZURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-14(7-10(9)2)12-5-13-4-3-11(12)8-15/h3-5,9-10,15H,6-8H2,1-2H3.
What are the key properties of [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol?
[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 105066909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).