[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol

C20H25NO — CID 11254918

IUPAC[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol
SMILESC[C@H](c1ccccc1)N1CC[C@H](Cc2ccccc2)[C@@H]1CO
InChIInChI=1S/C20H25NO/c1-16(18-10-6-3-7-11-18)21-13-12-19(20(21)15-22)14-17-8-4-2-5-9-17/h2-11,16,19-20,22H,12-15H2,1H3/t16-,19-,20+/m1/s1
InChIKeyZSWYIWIBTPRNDY-AHRSYUTCSA-N
MW295.43 g/mol
LogP3.67
Rot. Bonds5

About [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol

[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol (PubChem CID 11254918) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol
PubChem CID11254918
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol
SMILESC[C@H](c1ccccc1)N1CC[C@H](Cc2ccccc2)[C@@H]1CO
InChIInChI=1S/C20H25NO/c1-16(18-10-6-3-7-11-18)21-13-12-19(20(21)15-22)14-17-8-4-2-5-9-17/h2-11,16,19-20,22H,12-15H2,1H3/t16-,19-,20+/m1/s1
InChIKeyZSWYIWIBTPRNDY-AHRSYUTCSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 123702124
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
[4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 22083389
methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 76664588
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
(2S,3R)-3-(iodomethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylic acid
CID 122513464
(6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 10588595
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine
CID 11667246
benzyl 3-methyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 77462570

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol (CID 11254918) is [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol is C[C@H](c1ccccc1)N1CC[C@H](Cc2ccccc2)[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZSWYIWIBTPRNDY-AHRSYUTCSA-N. The full InChI is InChI=1S/C20H25NO/c1-16(18-10-6-3-7-11-18)21-13-12-19(20(21)15-22)14-17-8-4-2-5-9-17/h2-11,16,19-20,22H,12-15H2,1H3/t16-,19-,20+/m1/s1.
What are the key properties of [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol?
[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol has a molecular weight of 295.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 11254918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).