1-(4,4-dimethylpiperidin-1-yl)ethanone;propane

C12H25NO — CID 166079085

IUPAC1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
SMILESCC(=O)N1CCC(C)(C)CC1.CCC
InChIInChI=1S/C9H17NO.C3H8/c1-8(11)10-6-4-9(2,3)5-7-10;1-3-2/h4-7H2,1-3H3;3H2,1-2H3
InChIKeyBOWBULFUKYBNRN-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.07
Rot. Bonds

About 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane

1-(4,4-dimethylpiperidin-1-yl)ethanone;propane (PubChem CID 166079085) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
PubChem CID166079085
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
SMILESCC(=O)N1CCC(C)(C)CC1.CCC
InChIInChI=1S/C9H17NO.C3H8/c1-8(11)10-6-4-9(2,3)5-7-10;1-3-2/h4-7H2,1-3H3;3H2,1-2H3
InChIKeyBOWBULFUKYBNRN-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane
CID 167457745
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
CID 142306561
1-(4-ethyl-4-methoxypiperidin-1-yl)ethanone
CID 91369104
1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 126758683
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62931262
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326
1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane
CID 145315746
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(1-acetyl-4-hydroxypiperidin-4-yl)ethanone
CID 15117211

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane (CID 166079085) is 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane is CC(=O)N1CCC(C)(C)CC1.CCC.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane?
The InChIKey is BOWBULFUKYBNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C3H8/c1-8(11)10-6-4-9(2,3)5-7-10;1-3-2/h4-7H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane?
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane has a molecular weight of 199.34 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)ethanone;propane is sourced from PubChem (CID 166079085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).