1-but-2-en-2-yl-3-methylpiperidine

C10H19N — CID 91561518

IUPAC1-but-2-en-2-yl-3-methylpiperidine
SMILESCC=C(C)N1CCCC(C)C1
InChIInChI=1S/C10H19N/c1-4-10(3)11-7-5-6-9(2)8-11/h4,9H,5-8H2,1-3H3
InChIKeyRUUCXSRQJJGAAP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds1

About 1-but-2-en-2-yl-3-methylpiperidine

1-but-2-en-2-yl-3-methylpiperidine (PubChem CID 91561518) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-but-2-en-2-yl-3-methylpiperidine.

Molecular Properties

Compound Name1-but-2-en-2-yl-3-methylpiperidine
PubChem CID91561518
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-but-2-en-2-yl-3-methylpiperidine
SMILESCC=C(C)N1CCCC(C)C1
InChIInChI=1S/C10H19N/c1-4-10(3)11-7-5-6-9(2)8-11/h4,9H,5-8H2,1-3H3
InChIKeyRUUCXSRQJJGAAP-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-3-methylpiperidine?
The IUPAC name of 1-but-2-en-2-yl-3-methylpiperidine (CID 91561518) is 1-but-2-en-2-yl-3-methylpiperidine.
What is the SMILES notation for 1-but-2-en-2-yl-3-methylpiperidine?
The canonical SMILES for 1-but-2-en-2-yl-3-methylpiperidine is CC=C(C)N1CCCC(C)C1.
What is the InChIKey of 1-but-2-en-2-yl-3-methylpiperidine?
The InChIKey is RUUCXSRQJJGAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-10(3)11-7-5-6-9(2)8-11/h4,9H,5-8H2,1-3H3.
What are the key properties of 1-but-2-en-2-yl-3-methylpiperidine?
1-but-2-en-2-yl-3-methylpiperidine has a molecular weight of 153.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yl-3-methylpiperidine is sourced from PubChem (CID 91561518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).