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

C14H20N2O2 — CID 62178263

IUPAC[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-15-12-7-5-11(6-8-12)14(18)16-9-3-4-13(17)10-16/h5-8,13,15,17H,2-4,9-10H2,1H3
InChIKeyQHQLAAUNMFRRDJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds3

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

[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 62178263) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID62178263
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-15-12-7-5-11(6-8-12)14(18)16-9-3-4-13(17)10-16/h5-8,13,15,17H,2-4,9-10H2,1H3
InChIKeyQHQLAAUNMFRRDJ-UHFFFAOYSA-N
XLogP1.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
[4-(ethylamino)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 62177623
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone
CID 62179529
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 110878335
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone (CID 62178263) is [4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone is CCNc1ccc(C(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of [4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is QHQLAAUNMFRRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-15-12-7-5-11(6-8-12)14(18)16-9-3-4-13(17)10-16/h5-8,13,15,17H,2-4,9-10H2,1H3.
What are the key properties of [4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 62178263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).