3-but-3-enyl-1-methylpiperidine

C10H19N — CID 55275631

IUPAC3-but-3-enyl-1-methylpiperidine
SMILESC=CCCC1CCCN(C)C1
InChIInChI=1S/C10H19N/c1-3-4-6-10-7-5-8-11(2)9-10/h3,10H,1,4-9H2,2H3
InChIKeyDDVKRVJVIKNYCU-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds3

About 3-but-3-enyl-1-methylpiperidine

3-but-3-enyl-1-methylpiperidine (PubChem CID 55275631) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-but-3-enyl-1-methylpiperidine.

Molecular Properties

Compound Name3-but-3-enyl-1-methylpiperidine
PubChem CID55275631
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-but-3-enyl-1-methylpiperidine
SMILESC=CCCC1CCCN(C)C1
InChIInChI=1S/C10H19N/c1-3-4-6-10-7-5-8-11(2)9-10/h3,10H,1,4-9H2,2H3
InChIKeyDDVKRVJVIKNYCU-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
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-(1-methylpiperidin-3-yl)propanal
CID 83905184
but-3-enylcyclododecane
CID 54074675
3-(ethenoxymethyl)-1-methylpiperidine
CID 122664385
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate
CID 124585421
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070
(2S,8S)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101124615
(2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 23245267
ethane;3-ethyl-1-methylpiperidine
CID 142833851
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-1-methylpiperidine?
The IUPAC name of 3-but-3-enyl-1-methylpiperidine (CID 55275631) is 3-but-3-enyl-1-methylpiperidine.
What is the SMILES notation for 3-but-3-enyl-1-methylpiperidine?
The canonical SMILES for 3-but-3-enyl-1-methylpiperidine is C=CCCC1CCCN(C)C1.
What is the InChIKey of 3-but-3-enyl-1-methylpiperidine?
The InChIKey is DDVKRVJVIKNYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-4-6-10-7-5-8-11(2)9-10/h3,10H,1,4-9H2,2H3.
What are the key properties of 3-but-3-enyl-1-methylpiperidine?
3-but-3-enyl-1-methylpiperidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-1-methylpiperidine is sourced from PubChem (CID 55275631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).