4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one

C21H33NO — CID 18626360

IUPAC4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one
SMILESCCCCC1CCN(CCCC(=O)c2ccccc2CC)CC1
InChIInChI=1S/C21H33NO/c1-3-5-9-18-13-16-22(17-14-18)15-8-12-21(23)20-11-7-6-10-19(20)4-2/h6-7,10-11,18H,3-5,8-9,12-17H2,1-2H3
InChIKeyGHGKMFUOKXKJPK-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.11
Rot. Bonds9

About 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one

4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one (PubChem CID 18626360) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one.

Molecular Properties

Compound Name4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one
PubChem CID18626360
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one
SMILESCCCCC1CCN(CCCC(=O)c2ccccc2CC)CC1
InChIInChI=1S/C21H33NO/c1-3-5-9-18-13-16-22(17-14-18)15-8-12-21(23)20-11-7-6-10-19(20)4-2/h6-7,10-11,18H,3-5,8-9,12-17H2,1-2H3
InChIKeyGHGKMFUOKXKJPK-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-butylpiperidin-1-yl)-1-(2-chlorophenyl)butan-1-one
CID 57005847
4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one
CID 18626374
1-[2-(aminomethyl)phenyl]-4-(4-butylpiperazin-1-yl)butan-1-one
CID 151007578
1-(2-ethylphenyl)pentan-1-one;pentane
CID 142147591
4-butyl-1-octylpiperidine
CID 171570418
4-(4-butylpiperidin-1-yl)-3,3-dimethyl-1-(2-methylphenyl)butan-1-one
CID 18626398
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide
CID 67838993
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852
4-butyl-1-heptylpiperidine;formonitrile
CID 175849547
4-chloro-1-(2-ethylphenyl)butan-1-one
CID 14910275

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one?
The IUPAC name of 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one (CID 18626360) is 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one.
What is the SMILES notation for 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one?
The canonical SMILES for 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one is CCCCC1CCN(CCCC(=O)c2ccccc2CC)CC1.
What is the InChIKey of 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one?
The InChIKey is GHGKMFUOKXKJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-3-5-9-18-13-16-22(17-14-18)15-8-12-21(23)20-11-7-6-10-19(20)4-2/h6-7,10-11,18H,3-5,8-9,12-17H2,1-2H3.
What are the key properties of 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one?
4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one has a molecular weight of 315.50 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one is sourced from PubChem (CID 18626360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).