(2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one

C11H21NO — CID 1415635

IUPAC(2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one
SMILESC[C@@H]1C(=O)C[C@@H](C(C)(C)C)CN1C
InChIInChI=1S/C11H21NO/c1-8-10(13)6-9(7-12(8)5)11(2,3)4/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyXDPTWFUYZSATFF-RKDXNWHRSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds

About (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one

(2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one (PubChem CID 1415635) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one.

Molecular Properties

Compound Name(2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one
PubChem CID1415635
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one
SMILESC[C@@H]1C(=O)C[C@@H](C(C)(C)C)CN1C
InChIInChI=1S/C11H21NO/c1-8-10(13)6-9(7-12(8)5)11(2,3)4/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyXDPTWFUYZSATFF-RKDXNWHRSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R)-5-tert-butyl-1,2-dimethylpiperidin-1-ium-3-one
CID 7201222
(2R,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-one
CID 6556843
(2R,5R)-5-tert-butyl-2-methylpiperidin-1-ium-3-one
CID 6984988
5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine
CID 167284044
1,4-ditert-butylpiperidine-2,6-dione
CID 23591871
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
trans-(2R,6R)-4-tert-butyl-2,6-dimethylcyclohexan-1-one
CID 102330787
tert-butyl 2,5-dimethyl-3-oxopiperidine-1-carboxylate
CID 155819641
2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
CID 104511235
5-tert-butyl-2-methylcycloheptan-1-one
CID 73120802
4-tert-butyl-2-dimethylsilyloxycyclopentan-1-one
CID 173399559
(3R,6R)-6-tert-butyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 91495086

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one?
The IUPAC name of (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one (CID 1415635) is (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one.
What is the SMILES notation for (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one?
The canonical SMILES for (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one is C[C@@H]1C(=O)C[C@@H](C(C)(C)C)CN1C.
What is the InChIKey of (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one?
The InChIKey is XDPTWFUYZSATFF-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-10(13)6-9(7-12(8)5)11(2,3)4/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one?
(2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one has a molecular weight of 183.29 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-tert-butyl-1,2-dimethylpiperidin-3-one is sourced from PubChem (CID 1415635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).