(3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine

C18H21NO3 — CID 14952672

IUPAC(3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
SMILESON1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C18H21NO3/c20-19-11-17(21-13-15-7-3-1-4-8-15)18(12-19)22-14-16-9-5-2-6-10-16/h1-10,17-18,20H,11-14H2/t17-,18-/m0/s1
InChIKeyFYYBAYDUURHSNN-ROUUACIJSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds6

About (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine

(3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine (PubChem CID 14952672) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
PubChem CID14952672
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
SMILESON1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C18H21NO3/c20-19-11-17(21-13-15-7-3-1-4-8-15)18(12-19)22-14-16-9-5-2-6-10-16/h1-10,17-18,20H,11-14H2/t17-,18-/m0/s1
InChIKeyFYYBAYDUURHSNN-ROUUACIJSA-N
XLogP2.86
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrrolidine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-, hydrochloride
CID 3024524
4-Morpholineethanol, alpha-((phenylmethoxy)methyl)-
CID 2817987
1-Benzhydryloxy-3-(diethylamino)propan-2-ol
CID 4963216
1-Benzyloxy-3-pyrrolidin-1-yl-propan-2-ol
CID 2881951
Amoxydramine
CID 65618
1-(Dimethylamino)-3-(diphenylmethoxy)-2-propanol
CID 4316674
1,3-Dioxolane-4-methanaminium, N,N,N-trimethyl-2,2-diphenyl-, iodide
CID 9979829
[(2R,5S,6R)-5,6-diphenyl-1,4-dioxan-2-yl]methyl-trimethylazanium iodide
CID 156012935
[(2R,5R,6R)-5,6-diphenyl-1,4-dioxan-2-yl]methyl-trimethylazanium iodide
CID 156019962
Pyrrolidine, 3-(diphenylmethoxy)-1-methyl-, hydrochloride
CID 201591
Triethylamine, 2-(2-diphenylmethoxy)ethoxy-, hydrochloride
CID 115971
2,2-Diphenyl-4-piperidinomethyl-1,3-dioxolane
CID 197998

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine?
The IUPAC name of (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine (CID 14952672) is (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine.
What is the SMILES notation for (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine?
The canonical SMILES for (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine is ON1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1.
What is the InChIKey of (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine?
The InChIKey is FYYBAYDUURHSNN-ROUUACIJSA-N. The full InChI is InChI=1S/C18H21NO3/c20-19-11-17(21-13-15-7-3-1-4-8-15)18(12-19)22-14-16-9-5-2-6-10-16/h1-10,17-18,20H,11-14H2/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine?
(3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine has a molecular weight of 299.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine is sourced from PubChem (CID 14952672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).