(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol

C18H22N2O2 — CID 100736568

IUPAC(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@H](O)CN2CCc2ccccn2)c1
InChIInChI=1S/C18H22N2O2/c1-22-17-7-4-5-14(11-17)18-12-16(21)13-20(18)10-8-15-6-2-3-9-19-15/h2-7,9,11,16,18,21H,8,10,12-13H2,1H3/t16-,18+/m0/s1
InChIKeyXWIAHOZZJJTFGW-FUHWJXTLSA-N
MW298.39 g/mol
LogP2.44
Rot. Bonds5

About (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol

(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol (PubChem CID 100736568) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol
PubChem CID100736568
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@H](O)CN2CCc2ccccn2)c1
InChIInChI=1S/C18H22N2O2/c1-22-17-7-4-5-14(11-17)18-12-16(21)13-20(18)10-8-15-6-2-3-9-19-15/h2-7,9,11,16,18,21H,8,10,12-13H2,1H3/t16-,18+/m0/s1
InChIKeyXWIAHOZZJJTFGW-FUHWJXTLSA-N
XLogP2.44
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100751648
5-(3-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 128964288
(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 100736446
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736655
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481177
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-ol
CID 129481109
N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 129480913
(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481949
1-(azetidin-1-yl)-2-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965750
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol (CID 100736568) is (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol is COc1cccc([C@H]2C[C@H](O)CN2CCc2ccccn2)c1.
What is the InChIKey of (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol?
The InChIKey is XWIAHOZZJJTFGW-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-17-7-4-5-14(11-17)18-12-16(21)13-20(18)10-8-15-6-2-3-9-19-15/h2-7,9,11,16,18,21H,8,10,12-13H2,1H3/t16-,18+/m0/s1.
What are the key properties of (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol?
(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol has a molecular weight of 298.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 100736568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).