1-but-1-en-2-yl-4-(2-methylpropyl)piperidine

C13H25N — CID 138578782

IUPAC1-but-1-en-2-yl-4-(2-methylpropyl)piperidine
SMILESC=C(CC)N1CCC(CC(C)C)CC1
InChIInChI=1S/C13H25N/c1-5-12(4)14-8-6-13(7-9-14)10-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeySEHOVMQPHIUWCB-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.67
Rot. Bonds4

About 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine

1-but-1-en-2-yl-4-(2-methylpropyl)piperidine (PubChem CID 138578782) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-(2-methylpropyl)piperidine
PubChem CID138578782
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-but-1-en-2-yl-4-(2-methylpropyl)piperidine
SMILESC=C(CC)N1CCC(CC(C)C)CC1
InChIInChI=1S/C13H25N/c1-5-12(4)14-8-6-13(7-9-14)10-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeySEHOVMQPHIUWCB-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine?
The IUPAC name of 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine (CID 138578782) is 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine.
What is the SMILES notation for 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine?
The canonical SMILES for 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine is C=C(CC)N1CCC(CC(C)C)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine?
The InChIKey is SEHOVMQPHIUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-12(4)14-8-6-13(7-9-14)10-11(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine?
1-but-1-en-2-yl-4-(2-methylpropyl)piperidine has a molecular weight of 195.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 138578782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).