[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol

C13H21N3O — CID 117012382

IUPAC[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCN(C)C1(CO)CCN(Cc2ccncc2)C1
InChIInChI=1S/C13H21N3O/c1-15(2)13(11-17)5-8-16(10-13)9-12-3-6-14-7-4-12/h3-4,6-7,17H,5,8-11H2,1-2H3
InChIKeyQKHVEOSZJVWINW-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.58
Rot. Bonds4

About [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol

[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 117012382) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID117012382
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCN(C)C1(CO)CCN(Cc2ccncc2)C1
InChIInChI=1S/C13H21N3O/c1-15(2)13(11-17)5-8-16(10-13)9-12-3-6-14-7-4-12/h3-4,6-7,17H,5,8-11H2,1-2H3
InChIKeyQKHVEOSZJVWINW-UHFFFAOYSA-N
XLogP0.58
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol
CID 54376302
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
[3-(dimethylamino)-1-propylpyrrolidin-3-yl]methanol
CID 117012362
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 124989292
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472798
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
2-[(3R)-1,1-dioxo-1'-(pyridin-4-ylmethyl)spiro[1,2-benzothiazole-3,3'-pyrrolidine]-2-yl]-N,N-dimethylethanamine
CID 97438671
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 92605591
4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 117025480

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 117012382) is [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol is CN(C)C1(CO)CCN(Cc2ccncc2)C1.
What is the InChIKey of [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is QKHVEOSZJVWINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)13(11-17)5-8-16(10-13)9-12-3-6-14-7-4-12/h3-4,6-7,17H,5,8-11H2,1-2H3.
What are the key properties of [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).