(2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine

C12H23N — CID 165059470

IUPAC(2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine
SMILESC=C[C@@H]1CCC[C@H](C)N1C(C)CC
InChIInChI=1S/C12H23N/c1-5-10(3)13-11(4)8-7-9-12(13)6-2/h6,10-12H,2,5,7-9H2,1,3-4H3/t10?,11-,12+/m0/s1
InChIKeyQYSNBRFUQSTEAM-GLXQMMQGSA-N
MW181.32 g/mol
LogP3.21
Rot. Bonds3

About (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine

(2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine (PubChem CID 165059470) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine.

Molecular Properties

Compound Name(2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine
PubChem CID165059470
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine
SMILESC=C[C@@H]1CCC[C@H](C)N1C(C)CC
InChIInChI=1S/C12H23N/c1-5-10(3)13-11(4)8-7-9-12(13)6-2/h6,10-12H,2,5,7-9H2,1,3-4H3/t10?,11-,12+/m0/s1
InChIKeyQYSNBRFUQSTEAM-GLXQMMQGSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-methylpyrrolidine;ethane
CID 166157977
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
(2S)-1-[(2R)-butan-2-yl]pyrrolidine-2-carbaldehyde
CID 89079851
1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride
CID 139755409
(2S)-2-methyl-1-prop-2-enylpyrrolidine
CID 124507016
(2S)-2-ethenyl-1-methylpyrrolidine;propane
CID 172577719
(2S,6R)-2,6-dimethyl-1-(1-piperidin-2-ylpropan-2-yl)piperidine
CID 104969260
ethane;methylcyclobutane;propane;prop-1-ene
CID 171536362
2,6-dimethyl-N-prop-2-enylpiperidin-1-amine
CID 83013567
1-(7-ethenyl-1-ethylazepan-2-yl)-N-methylpropan-1-amine
CID 123809409
2-ethenyl-1-propylpiperidine
CID 13181247
but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane
CID 166106130

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine?
The IUPAC name of (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine (CID 165059470) is (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine.
What is the SMILES notation for (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine?
The canonical SMILES for (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine is C=C[C@@H]1CCC[C@H](C)N1C(C)CC.
What is the InChIKey of (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine?
The InChIKey is QYSNBRFUQSTEAM-GLXQMMQGSA-N. The full InChI is InChI=1S/C12H23N/c1-5-10(3)13-11(4)8-7-9-12(13)6-2/h6,10-12H,2,5,7-9H2,1,3-4H3/t10?,11-,12+/m0/s1.
What are the key properties of (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine?
(2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-1-butan-2-yl-2-ethenyl-6-methylpiperidine is sourced from PubChem (CID 165059470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).