ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one

C14H29NO — CID 178102262

IUPACethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one
SMILESCC.CC(=O)CN1CCC(CC(C)C)CC1
InChIInChI=1S/C12H23NO.C2H6/c1-10(2)8-12-4-6-13(7-5-12)9-11(3)14;1-2/h10,12H,4-9H2,1-3H3;1-2H3
InChIKeyDBEKAGPUUYADPZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds4

About ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one

ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one (PubChem CID 178102262) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Nameethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one
PubChem CID178102262
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nameethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one
SMILESCC.CC(=O)CN1CCC(CC(C)C)CC1
InChIInChI=1S/C12H23NO.C2H6/c1-10(2)8-12-4-6-13(7-5-12)9-11(3)14;1-2/h10,12H,4-9H2,1-3H3;1-2H3
InChIKeyDBEKAGPUUYADPZ-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Tert-butyl)-4-methylpiperidin-3-one
CID 580916
1-(1-Methylpiperidin-4-yl)propan-2-one
CID 15601060
1,5,6-Trimethylpiperidin-3-one
CID 566749
Piperidin-4-one, 1-isopropyl-2,3-dimethyl-
CID 4431477
1-Methyl-3-propylpiperidin-4-one
CID 22126837
1,2,2,5-Tetramethylpiperidin-3-one
CID 5200477
Azacyclohexan-3-one, 1-methyl-5-tert-butyl-
CID 545500
Azacyclohexan-3-one, 1-isopropyl-5-methyl-
CID 574344
N-t-butyl-5-methyl-3-piperidone
CID 4319665
1-(4-Tert-butyl-3-fluoropiperidin-1-yl)propan-2-one
CID 58391468
1-[4-(Trifluoromethyl)piperidin-1-yl]butan-2-one
CID 65539032
3-Methyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one
CID 79395479

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one?
The IUPAC name of ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one (CID 178102262) is ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one.
What is the SMILES notation for ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one?
The canonical SMILES for ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one is CC.CC(=O)CN1CCC(CC(C)C)CC1.
What is the InChIKey of ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one?
The InChIKey is DBEKAGPUUYADPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-10(2)8-12-4-6-13(7-5-12)9-11(3)14;1-2/h10,12H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one?
ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one has a molecular weight of 227.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(2-methylpropyl)piperidin-1-yl]propan-2-one is sourced from PubChem (CID 178102262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).