4-(3-methylbut-1-en-2-yl)piperidine

C10H19N — CID 58274565

IUPAC4-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)C1CCNCC1
InChIInChI=1S/C10H19N/c1-8(2)9(3)10-4-6-11-7-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyRCMLDUUGCHOJKD-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.20
Rot. Bonds2

About 4-(3-methylbut-1-en-2-yl)piperidine

4-(3-methylbut-1-en-2-yl)piperidine (PubChem CID 58274565) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-(3-methylbut-1-en-2-yl)piperidine.

Molecular Properties

Compound Name4-(3-methylbut-1-en-2-yl)piperidine
PubChem CID58274565
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)C1CCNCC1
InChIInChI=1S/C10H19N/c1-8(2)9(3)10-4-6-11-7-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyRCMLDUUGCHOJKD-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-1-en-2-yl)piperidine?
The IUPAC name of 4-(3-methylbut-1-en-2-yl)piperidine (CID 58274565) is 4-(3-methylbut-1-en-2-yl)piperidine.
What is the SMILES notation for 4-(3-methylbut-1-en-2-yl)piperidine?
The canonical SMILES for 4-(3-methylbut-1-en-2-yl)piperidine is C=C(C(C)C)C1CCNCC1.
What is the InChIKey of 4-(3-methylbut-1-en-2-yl)piperidine?
The InChIKey is RCMLDUUGCHOJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)9(3)10-4-6-11-7-5-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 4-(3-methylbut-1-en-2-yl)piperidine?
4-(3-methylbut-1-en-2-yl)piperidine has a molecular weight of 153.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-1-en-2-yl)piperidine is sourced from PubChem (CID 58274565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).