3-tert-butyl-1-prop-2-enylpiperidine

C12H23N — CID 127001155

IUPAC3-tert-butyl-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C12H23N/c1-5-8-13-9-6-7-11(10-13)12(2,3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyLSEFHKBNBVSJRB-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.93
Rot. Bonds2

About 3-tert-butyl-1-prop-2-enylpiperidine

3-tert-butyl-1-prop-2-enylpiperidine (PubChem CID 127001155) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-tert-butyl-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-tert-butyl-1-prop-2-enylpiperidine
PubChem CID127001155
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-tert-butyl-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C12H23N/c1-5-8-13-9-6-7-11(10-13)12(2,3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyLSEFHKBNBVSJRB-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.93
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

3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
3-(3-tert-butylpiperidin-1-yl)propanenitrile
CID 58395073
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638
3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
CID 152833336
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
ethyl 2-(3-tert-butylpiperidin-1-yl)acetate
CID 176945818
1-prop-2-enyl(213C)azinane
CID 173137320
2-[methyl-(1-prop-2-enylpiperidin-3-yl)amino]acetonitrile
CID 117004825

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-prop-2-enylpiperidine?
The IUPAC name of 3-tert-butyl-1-prop-2-enylpiperidine (CID 127001155) is 3-tert-butyl-1-prop-2-enylpiperidine.
What is the SMILES notation for 3-tert-butyl-1-prop-2-enylpiperidine?
The canonical SMILES for 3-tert-butyl-1-prop-2-enylpiperidine is C=CCN1CCCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-prop-2-enylpiperidine?
The InChIKey is LSEFHKBNBVSJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-8-13-9-6-7-11(10-13)12(2,3)4/h5,11H,1,6-10H2,2-4H3.
What are the key properties of 3-tert-butyl-1-prop-2-enylpiperidine?
3-tert-butyl-1-prop-2-enylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-prop-2-enylpiperidine is sourced from PubChem (CID 127001155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).