4-(4-propan-2-ylpiperidin-1-yl)butan-2-one

C12H23NO — CID 57238765

IUPAC4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CCC(C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)12-5-8-13(9-6-12)7-4-11(3)14/h10,12H,4-9H2,1-3H3
InChIKeyWVTQJKHGHKXTQU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds4

About 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one

4-(4-propan-2-ylpiperidin-1-yl)butan-2-one (PubChem CID 57238765) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
PubChem CID57238765
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CCC(C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)12-5-8-13(9-6-12)7-4-11(3)14/h10,12H,4-9H2,1-3H3
InChIKeyWVTQJKHGHKXTQU-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
4-(4-ethylpiperidin-1-yl)butan-2-one
CID 20686954
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one
CID 178000127
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate
CID 66339331

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one?
The IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one (CID 57238765) is 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one is CC(=O)CCN1CCC(C(C)C)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one?
The InChIKey is WVTQJKHGHKXTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)12-5-8-13(9-6-12)7-4-11(3)14/h10,12H,4-9H2,1-3H3.
What are the key properties of 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one?
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 57238765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).