1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine

C14H21N — CID 145095853

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine
SMILESC=CC1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C14H21N/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h2,4,6-7,13H,1,3,5,8-12H2
InChIKeyGUSPRUSKXOWUPI-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.16
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine (PubChem CID 145095853) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine
PubChem CID145095853
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine
SMILESC=CC1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C14H21N/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h2,4,6-7,13H,1,3,5,8-12H2
InChIKeyGUSPRUSKXOWUPI-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
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 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine (CID 145095853) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine is C=CC1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine?
The InChIKey is GUSPRUSKXOWUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h2,4,6-7,13H,1,3,5,8-12H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine has a molecular weight of 203.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine is sourced from PubChem (CID 145095853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).