(2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine

C11H21N — CID 58274636

IUPAC(2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine
SMILESC=C([C@@H]1CCCCN1)C(C)(C)C
InChIInChI=1S/C11H21N/c1-9(11(2,3)4)10-7-5-6-8-12-10/h10,12H,1,5-8H2,2-4H3/t10-/m0/s1
InChIKeyULWVUPUEZQTXHF-JTQLQIEISA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds1

About (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine

(2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine (PubChem CID 58274636) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine.

Molecular Properties

Compound Name(2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine
PubChem CID58274636
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine
SMILESC=C([C@@H]1CCCCN1)C(C)(C)C
InChIInChI=1S/C11H21N/c1-9(11(2,3)4)10-7-5-6-8-12-10/h10,12H,1,5-8H2,2-4H3/t10-/m0/s1
InChIKeyULWVUPUEZQTXHF-JTQLQIEISA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethyl-2-(prop-2-en-1-yl)piperidine
CID 86811575
2,2-Bis-(2-methyl-allyl)-piperidine
CID 1526087
2-(Prop-1-en-2-yl)piperidine
CID 53427466
(2S)-2-prop-1-en-2-ylpiperidine
CID 55299750
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
5-Diisopropenylpiperidine
CID 129879102
2-(2-Fluoro-2,3-dimethylbut-3-enyl)piperidine
CID 116011052
3-Methylidene-2-propan-2-ylpiperidine
CID 10997110
tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane
CID 11026338
N,9,9-trimethyl-6-methylideneundecan-2-amine
CID 18716554
(2S)-2-(3,3-dimethylbut-1-en-2-yl)pyrrolidine
CID 58274550
(2S)-2-(3-methylbut-1-en-2-yl)piperidine
CID 58274566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine?
The IUPAC name of (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine (CID 58274636) is (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine.
What is the SMILES notation for (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine?
The canonical SMILES for (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine is C=C([C@@H]1CCCCN1)C(C)(C)C.
What is the InChIKey of (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine?
The InChIKey is ULWVUPUEZQTXHF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N/c1-9(11(2,3)4)10-7-5-6-8-12-10/h10,12H,1,5-8H2,2-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine?
(2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,3-dimethylbut-1-en-2-yl)piperidine is sourced from PubChem (CID 58274636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).