1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone

C17H26N2O — CID 93193971

IUPAC1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone
SMILESCCN(CC)c1ccc(C(=O)CN2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-19(4-2)16-10-8-15(9-11-16)17(20)14-18-12-6-5-7-13-18/h8-11H,3-7,12-14H2,1-2H3
InChIKeyJELJWDGUOLMPQB-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds6

About 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone

1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone (PubChem CID 93193971) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone
PubChem CID93193971
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone
SMILESCCN(CC)c1ccc(C(=O)CN2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-19(4-2)16-10-8-15(9-11-16)17(20)14-18-12-6-5-7-13-18/h8-11H,3-7,12-14H2,1-2H3
InChIKeyJELJWDGUOLMPQB-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone
CID 91091827
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-[4-(chloromethyl)phenyl]-2-pyrrolidin-1-ylethanone
CID 154989452
1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
CID 54451511
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one
CID 146006018

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone (CID 93193971) is 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone is CCN(CC)c1ccc(C(=O)CN2CCCCC2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone?
The InChIKey is JELJWDGUOLMPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19(4-2)16-10-8-15(9-11-16)17(20)14-18-12-6-5-7-13-18/h8-11H,3-7,12-14H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone?
1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone has a molecular weight of 274.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 93193971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).