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

C16H24N2O2 — CID 107224194

IUPAC[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-17(4-2)14-9-7-13(8-10-14)16(20)18-11-5-6-15(19)12-18/h7-10,15,19H,3-6,11-12H2,1-2H3/t15-/m0/s1
InChIKeySYCVKHLMFZBBJC-HNNXBMFYSA-N
MW276.38 g/mol
LogP2.13
Rot. Bonds4

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

[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107224194) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107224194
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-17(4-2)14-9-7-13(8-10-14)16(20)18-11-5-6-15(19)12-18/h7-10,15,19H,3-6,11-12H2,1-2H3/t15-/m0/s1
InChIKeySYCVKHLMFZBBJC-HNNXBMFYSA-N
XLogP2.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62178263
[4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 118147974
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
[4-[ethyl(propyl)amino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119487943
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 110878335
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(diethylamino)phenyl]methanone
CID 9150545
1-[4-(diethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43355562
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107224194) is [4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is CCN(CC)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1.
What is the InChIKey of [4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is SYCVKHLMFZBBJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-17(4-2)14-9-7-13(8-10-14)16(20)18-11-5-6-15(19)12-18/h7-10,15,19H,3-6,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of [4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.13, 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-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107224194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).