(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol

C13H19NO — CID 96766487

IUPAC(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11(15)13-7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyANQRCZQKWVDTIB-YPMHNXCESA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds3

About (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol

(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol (PubChem CID 96766487) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
PubChem CID96766487
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11(15)13-7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyANQRCZQKWVDTIB-YPMHNXCESA-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-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516
1-benzyl-3-propan-2-ylpiperidin-4-ol
CID 23003711
2-[4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenoxy]propanenitrile
CID 110022624
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
dimethyl (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]-3-methylbutanedioate
CID 166986160
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol (CID 96766487) is (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol is C[C@@H](O)[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol?
The InChIKey is ANQRCZQKWVDTIB-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19NO/c1-11(15)13-7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol?
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol 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 (1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 96766487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).