1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C12H18ClN3O — CID 66051832

IUPAC1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-15(2)7-10-5-11(17)8-16(10)12-4-3-9(13)6-14-12/h3-4,6,10-11,17H,5,7-8H2,1-2H3
InChIKeyMWJATUSXGMFNDW-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.24
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66051832) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66051832
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-15(2)7-10-5-11(17)8-16(10)12-4-3-9(13)6-14-12/h3-4,6,10-11,17H,5,7-8H2,1-2H3
InChIKeyMWJATUSXGMFNDW-UHFFFAOYSA-N
XLogP1.24
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 66057235
1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 114920436
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
5-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrazine-2-carbothioamide
CID 66056057
5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 66052604
1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056048
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856110
5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 66052213
5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80855641
4-chloro-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77111677
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051281
5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol
CID 66054145

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66051832) is 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is MWJATUSXGMFNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-15(2)7-10-5-11(17)8-16(10)12-4-3-9(13)6-14-12/h3-4,6,10-11,17H,5,7-8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 255.75 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66051832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).