(2R,6S)-2,6-dibutylpiperidin-4-one

C13H25NO — CID 24773544

IUPAC(2R,6S)-2,6-dibutylpiperidin-4-one
SMILESCCCC[C@@H]1CC(=O)C[C@H](CCCC)N1
InChIInChI=1S/C13H25NO/c1-3-5-7-11-9-13(15)10-12(14-11)8-6-4-2/h11-12,14H,3-10H2,1-2H3/t11-,12+
InChIKeyMBPBECPFCIVADS-TXEJJXNPSA-N
MW211.35 g/mol
LogP3.06
Rot. Bonds6

About (2R,6S)-2,6-dibutylpiperidin-4-one

(2R,6S)-2,6-dibutylpiperidin-4-one (PubChem CID 24773544) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2R,6S)-2,6-dibutylpiperidin-4-one.

Molecular Properties

Compound Name(2R,6S)-2,6-dibutylpiperidin-4-one
PubChem CID24773544
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2R,6S)-2,6-dibutylpiperidin-4-one
SMILESCCCC[C@@H]1CC(=O)C[C@H](CCCC)N1
InChIInChI=1S/C13H25NO/c1-3-5-7-11-9-13(15)10-12(14-11)8-6-4-2/h11-12,14H,3-10H2,1-2H3/t11-,12+
InChIKeyMBPBECPFCIVADS-TXEJJXNPSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R,5S)-2,5-dipentylpyrrolidine
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(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
CID 131230214
2-ethyl-6-methylpiperidin-4-one
CID 85436511
4-butyl-1-deuterioimidazolidin-2-one
CID 139901383
cis-(3R,4S)-3-hexyl-4-propylcyclopentan-1-one
CID 134987220
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one
CID 82406498

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dibutylpiperidin-4-one?
The IUPAC name of (2R,6S)-2,6-dibutylpiperidin-4-one (CID 24773544) is (2R,6S)-2,6-dibutylpiperidin-4-one.
What is the SMILES notation for (2R,6S)-2,6-dibutylpiperidin-4-one?
The canonical SMILES for (2R,6S)-2,6-dibutylpiperidin-4-one is CCCC[C@@H]1CC(=O)C[C@H](CCCC)N1.
What is the InChIKey of (2R,6S)-2,6-dibutylpiperidin-4-one?
The InChIKey is MBPBECPFCIVADS-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-7-11-9-13(15)10-12(14-11)8-6-4-2/h11-12,14H,3-10H2,1-2H3/t11-,12+.
What are the key properties of (2R,6S)-2,6-dibutylpiperidin-4-one?
(2R,6S)-2,6-dibutylpiperidin-4-one has a molecular weight of 211.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dibutylpiperidin-4-one is sourced from PubChem (CID 24773544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).