1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one

C18H33NO — CID 118282866

IUPAC1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one
SMILESC=C(C(CC)CC)N1CCC(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H33NO/c1-7-16(8-2)14(3)19-11-9-15(10-12-19)13-17(20)18(4,5)6/h15-16H,3,7-13H2,1-2,4-6H3
InChIKeyRJIVHBQCEUJHAG-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.65
Rot. Bonds6

About 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one

1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one (PubChem CID 118282866) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one
PubChem CID118282866
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one
SMILESC=C(C(CC)CC)N1CCC(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H33NO/c1-7-16(8-2)14(3)19-11-9-15(10-12-19)13-17(20)18(4,5)6/h15-16H,3,7-13H2,1-2,4-6H3
InChIKeyRJIVHBQCEUJHAG-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one
CID 118282871
(4R)-4-(cyclopentylmethyl)-5-piperidin-1-ylhex-5-en-2-one
CID 141965334
ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
CID 143764109
1-(1-Prop-1-en-2-ylpiperidin-4-yl)propan-2-one
CID 143814097
1-(1,3-Dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one
CID 155131499
4-Methyl-7-[[methyl(3-methylpent-1-en-2-yl)amino]methyl]nonan-3-one
CID 170043029
8-(3-Tert-butyl-2,5-dimethylidenepyrrolidin-1-yl)-2,2-dimethyloctan-3-one
CID 175626973
1-[1-(4,4-Dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one
CID 176659240
1-(2,4-Dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
CID 177325522
12-[Methyl(5-methyltridec-1-en-2-yl)amino]dodecan-5-one
CID 142401951
(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
CID 143764110
3-Methyl-1-(1-methyl-6-methylidenepiperidin-3-yl)butan-2-one
CID 167644680

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one (CID 118282866) is 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one is C=C(C(CC)CC)N1CCC(CC(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one?
The InChIKey is RJIVHBQCEUJHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-7-16(8-2)14(3)19-11-9-15(10-12-19)13-17(20)18(4,5)6/h15-16H,3,7-13H2,1-2,4-6H3.
What are the key properties of 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one?
1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one has a molecular weight of 279.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 118282866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).