3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one

C14H27NO — CID 62205767

IUPAC3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one
SMILESCCCC1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-5-6-12-7-9-15(10-8-12)11-13(16)14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyQYPYYLKUUDLBSX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds4

About 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one

3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one (PubChem CID 62205767) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one
PubChem CID62205767
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one
SMILESCCCC1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-5-6-12-7-9-15(10-8-12)11-13(16)14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyQYPYYLKUUDLBSX-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid
CID 22313268
ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
3,3-dimethyl-1-(4-methylazepan-1-yl)butan-2-one
CID 63622621
2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
CID 62271022
ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine
CID 166535515
(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid
CID 129493333
2-amino-2-methyl-4-(4-propylpiperidin-1-yl)butanamide
CID 62205252
1-(4-fluorophenyl)-3-(4-propylpiperidin-1-yl)propan-2-one
CID 62206992
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
CID 62206652

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one (CID 62205767) is 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one is CCCC1CCN(CC(=O)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one?
The InChIKey is QYPYYLKUUDLBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-6-12-7-9-15(10-8-12)11-13(16)14(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one?
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 62205767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).