5-(4-ethylpiperidin-1-yl)-3H-azepine

C13H20N2 — CID 123269294

IUPAC5-(4-ethylpiperidin-1-yl)-3H-azepine
SMILESCCC1CCN(C2=CCC=NC=C2)CC1
InChIInChI=1S/C13H20N2/c1-2-12-6-10-15(11-7-12)13-4-3-8-14-9-5-13/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKeyHUMRRVHKHNIULN-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.98
Rot. Bonds2

About 5-(4-ethylpiperidin-1-yl)-3H-azepine

5-(4-ethylpiperidin-1-yl)-3H-azepine (PubChem CID 123269294) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-1-yl)-3H-azepine.

Molecular Properties

Compound Name5-(4-ethylpiperidin-1-yl)-3H-azepine
PubChem CID123269294
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-(4-ethylpiperidin-1-yl)-3H-azepine
SMILESCCC1CCN(C2=CCC=NC=C2)CC1
InChIInChI=1S/C13H20N2/c1-2-12-6-10-15(11-7-12)13-4-3-8-14-9-5-13/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKeyHUMRRVHKHNIULN-UHFFFAOYSA-N
XLogP2.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
3-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-3H-azepine
CID 126706503
(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
CID 139420142
1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
CID 142001405
4-(1-Methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene
CID 142032557
ethane;methane;5-piperidin-1-yl-3H-azepine
CID 143115625
Ethane;1-methyl-6-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydropyridin-1-ium
CID 153586418
(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166955028
(2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine
CID 170246048
4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine
CID 142575190
5-piperidin-1-yl-3H-azepine
CID 143115626
N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine
CID 143115633

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-1-yl)-3H-azepine?
The IUPAC name of 5-(4-ethylpiperidin-1-yl)-3H-azepine (CID 123269294) is 5-(4-ethylpiperidin-1-yl)-3H-azepine.
What is the SMILES notation for 5-(4-ethylpiperidin-1-yl)-3H-azepine?
The canonical SMILES for 5-(4-ethylpiperidin-1-yl)-3H-azepine is CCC1CCN(C2=CCC=NC=C2)CC1.
What is the InChIKey of 5-(4-ethylpiperidin-1-yl)-3H-azepine?
The InChIKey is HUMRRVHKHNIULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-12-6-10-15(11-7-12)13-4-3-8-14-9-5-13/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3.
What are the key properties of 5-(4-ethylpiperidin-1-yl)-3H-azepine?
5-(4-ethylpiperidin-1-yl)-3H-azepine has a molecular weight of 204.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-1-yl)-3H-azepine is sourced from PubChem (CID 123269294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).