ethane;1,4,4-trimethylpiperidin-2-one

C10H21NO — CID 143025002

IUPACethane;1,4,4-trimethylpiperidin-2-one
SMILESCC.CN1CCC(C)(C)CC1=O
InChIInChI=1S/C8H15NO.C2H6/c1-8(2)4-5-9(3)7(10)6-8;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyNCXQDVKLCFSMSU-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.29
Rot. Bonds

About ethane;1,4,4-trimethylpiperidin-2-one

ethane;1,4,4-trimethylpiperidin-2-one (PubChem CID 143025002) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;1,4,4-trimethylpiperidin-2-one.

Molecular Properties

Compound Nameethane;1,4,4-trimethylpiperidin-2-one
PubChem CID143025002
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;1,4,4-trimethylpiperidin-2-one
SMILESCC.CN1CCC(C)(C)CC1=O
InChIInChI=1S/C8H15NO.C2H6/c1-8(2)4-5-9(3)7(10)6-8;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyNCXQDVKLCFSMSU-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1,4,4-trimethylpyrrolidin-2-one
CID 171091773
4,4-dimethyl-1-phosphanylpiperidin-2-one
CID 143261416
ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
CID 144669099
1-but-3-ynyl-4,4-dimethylpiperidin-2-one
CID 130664265
ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one
CID 145006494
4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one
CID 134555227
7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione
CID 139382671
4,4-dimethyl-1-pent-4-ynylpiperidin-2-one
CID 131115488
3-(4,4-dimethyl-2-oxopiperidin-1-yl)propanethioamide
CID 126989654
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one
CID 20635188
9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one
CID 170581664
4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one
CID 130663665

Frequently Asked Questions

What is the IUPAC name of ethane;1,4,4-trimethylpiperidin-2-one?
The IUPAC name of ethane;1,4,4-trimethylpiperidin-2-one (CID 143025002) is ethane;1,4,4-trimethylpiperidin-2-one.
What is the SMILES notation for ethane;1,4,4-trimethylpiperidin-2-one?
The canonical SMILES for ethane;1,4,4-trimethylpiperidin-2-one is CC.CN1CCC(C)(C)CC1=O.
What is the InChIKey of ethane;1,4,4-trimethylpiperidin-2-one?
The InChIKey is NCXQDVKLCFSMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-8(2)4-5-9(3)7(10)6-8;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1,4,4-trimethylpiperidin-2-one?
ethane;1,4,4-trimethylpiperidin-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4,4-trimethylpiperidin-2-one is sourced from PubChem (CID 143025002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).