(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol

C19H25N3O2 — CID 129454913

IUPAC(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
SMILESCN(C)[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1O
InChIInChI=1S/C19H25N3O2/c1-21(2)18-12-22(13-19(18)23)11-15-6-8-17(9-7-15)24-14-16-5-3-4-10-20-16/h3-10,18-19,23H,11-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyGNJSPMGFHSHPFI-OALUTQOASA-N
MW327.43 g/mol
LogP1.77
Rot. Bonds6

About (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol

(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 129454913) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
PubChem CID129454913
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
SMILESCN(C)[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1O
InChIInChI=1S/C19H25N3O2/c1-21(2)18-12-22(13-19(18)23)11-15-6-8-17(9-7-15)24-14-16-5-3-4-10-20-16/h3-10,18-19,23H,11-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyGNJSPMGFHSHPFI-OALUTQOASA-N
XLogP1.77
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3S,4S)-4-(4-methylpiperazin-1-yl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129458176
2-[4-[[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 74245862
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine
CID 126812748
[(3S,6R)-6-(dimethylamino)-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]azepan-3-yl]methanol
CID 171908272
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816
4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 72885634
[(3aS,7aR)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811558

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol (CID 129454913) is (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol is CN(C)[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is GNJSPMGFHSHPFI-OALUTQOASA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(2)18-12-22(13-19(18)23)11-15-6-8-17(9-7-15)24-14-16-5-3-4-10-20-16/h3-10,18-19,23H,11-14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol?
(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 327.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129454913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).