(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol

C13H19NO — CID 57045077

IUPAC(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
SMILESCC[C@@H]1CN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C13H19NO/c1-2-12-9-14(10-13(12)15)8-11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyZKVCKZIJMCGCQT-CHWSQXEVSA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds3

About (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol

(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol (PubChem CID 57045077) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
PubChem CID57045077
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
SMILESCC[C@@H]1CN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C13H19NO/c1-2-12-9-14(10-13(12)15)8-11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyZKVCKZIJMCGCQT-CHWSQXEVSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3R,4R)-1-benzyl-3,4-bis(chloromethyl)pyrrolidine
CID 98044022
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
tert-butyl 3-(1-benzyl-4-ethylpyrrolidin-3-yl)propanoate
CID 58266905
(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidin-3-ol;(Z)-but-2-enedioic acid
CID 70563777

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol (CID 57045077) is (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol is CC[C@@H]1CN(Cc2ccccc2)C[C@H]1O.
What is the InChIKey of (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol?
The InChIKey is ZKVCKZIJMCGCQT-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-12-9-14(10-13(12)15)8-11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol?
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol is sourced from PubChem (CID 57045077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).