2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine

C16H25N — CID 134382678

IUPAC2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine
SMILESC=C(CC)C1=CCC(C2CCC(C)CN2)C=C1
InChIInChI=1S/C16H25N/c1-4-13(3)14-6-8-15(9-7-14)16-10-5-12(2)11-17-16/h6-8,12,15-17H,3-5,9-11H2,1-2H3
InChIKeyDWVBRJOJBKZMKC-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine

2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine (PubChem CID 134382678) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine.

Molecular Properties

Compound Name2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine
PubChem CID134382678
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine
SMILESC=C(CC)C1=CCC(C2CCC(C)CN2)C=C1
InChIInChI=1S/C16H25N/c1-4-13(3)14-6-8-15(9-7-14)16-10-5-12(2)11-17-16/h6-8,12,15-17H,3-5,9-11H2,1-2H3
InChIKeyDWVBRJOJBKZMKC-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine?
The IUPAC name of 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine (CID 134382678) is 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine.
What is the SMILES notation for 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine?
The canonical SMILES for 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine is C=C(CC)C1=CCC(C2CCC(C)CN2)C=C1.
What is the InChIKey of 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine?
The InChIKey is DWVBRJOJBKZMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-13(3)14-6-8-15(9-7-14)16-10-5-12(2)11-17-16/h6-8,12,15-17H,3-5,9-11H2,1-2H3.
What are the key properties of 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine?
2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-1-en-2-ylcyclohexa-2,4-dien-1-yl)-5-methylpiperidine is sourced from PubChem (CID 134382678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).