[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C15H22N2O2 — CID 79030131

IUPAC[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CC[C@H](O)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-16(4-2)13-7-5-12(6-8-13)15(19)17-10-9-14(18)11-17/h5-8,14,18H,3-4,9-11H2,1-2H3/t14-/m0/s1
InChIKeyJEDBWQCGCLTCJD-AWEZNQCLSA-N
MW262.35 g/mol
LogP1.74
Rot. Bonds4

About [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 79030131) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID79030131
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CC[C@H](O)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-16(4-2)13-7-5-12(6-8-13)15(19)17-10-9-14(18)11-17/h5-8,14,18H,3-4,9-11H2,1-2H3/t14-/m0/s1
InChIKeyJEDBWQCGCLTCJD-AWEZNQCLSA-N
XLogP1.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119409534
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638827
(4-butan-2-yloxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111825794

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 79030131) is [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is CCN(CC)c1ccc(C(=O)N2CC[C@H](O)C2)cc1.
What is the InChIKey of [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is JEDBWQCGCLTCJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-16(4-2)13-7-5-12(6-8-13)15(19)17-10-9-14(18)11-17/h5-8,14,18H,3-4,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 79030131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).