1-(4-ethenylpiperidin-4-yl)azepane

C13H24N2 — CID 125453921

IUPAC1-(4-ethenylpiperidin-4-yl)azepane
SMILESC=CC1(N2CCCCCC2)CCNCC1
InChIInChI=1S/C13H24N2/c1-2-13(7-9-14-10-8-13)15-11-5-3-4-6-12-15/h2,14H,1,3-12H2
InChIKeyQZKINIJVRZQGKE-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.17
Rot. Bonds2

About 1-(4-ethenylpiperidin-4-yl)azepane

1-(4-ethenylpiperidin-4-yl)azepane (PubChem CID 125453921) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(4-ethenylpiperidin-4-yl)azepane.

Molecular Properties

Compound Name1-(4-ethenylpiperidin-4-yl)azepane
PubChem CID125453921
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(4-ethenylpiperidin-4-yl)azepane
SMILESC=CC1(N2CCCCCC2)CCNCC1
InChIInChI=1S/C13H24N2/c1-2-13(7-9-14-10-8-13)15-11-5-3-4-6-12-15/h2,14H,1,3-12H2
InChIKeyQZKINIJVRZQGKE-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-4-piperidin-1-ylpiperidine
CID 125454266
azane;4-piperidin-1-ylpiperidine-4-carbaldehyde
CID 142887669
(3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine
CID 125453665
(3R)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine
CID 125453663
1-(3-methylpyrrolidin-3-yl)piperidine;dihydrochloride
CID 153353229
1-(1-prop-2-enylcyclooctyl)-1,4-diazocane
CID 175317080
4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 22185355
4-cyclopropyl-4-pyrrolidin-1-ylpiperidine
CID 125453347
4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one
CID 175432940
(4-ethenylpiperidin-4-yl)methanol
CID 146049241
1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde
CID 115011343
1-piperidin-1-ylpiperazine;hydrochloride
CID 174770330

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylpiperidin-4-yl)azepane?
The IUPAC name of 1-(4-ethenylpiperidin-4-yl)azepane (CID 125453921) is 1-(4-ethenylpiperidin-4-yl)azepane.
What is the SMILES notation for 1-(4-ethenylpiperidin-4-yl)azepane?
The canonical SMILES for 1-(4-ethenylpiperidin-4-yl)azepane is C=CC1(N2CCCCCC2)CCNCC1.
What is the InChIKey of 1-(4-ethenylpiperidin-4-yl)azepane?
The InChIKey is QZKINIJVRZQGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-13(7-9-14-10-8-13)15-11-5-3-4-6-12-15/h2,14H,1,3-12H2.
What are the key properties of 1-(4-ethenylpiperidin-4-yl)azepane?
1-(4-ethenylpiperidin-4-yl)azepane has a molecular weight of 208.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylpiperidin-4-yl)azepane is sourced from PubChem (CID 125453921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).