1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine

C13H22N2 — CID 171083952

IUPAC1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine
SMILESCCN1CCC(N2CC=CC=CC2)CC1
InChIInChI=1S/C13H22N2/c1-2-14-11-7-13(8-12-14)15-9-5-3-4-6-10-15/h3-6,13H,2,7-12H2,1H3
InChIKeyIQQWFAUFNGMMTN-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.90
Rot. Bonds2

About 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine

1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine (PubChem CID 171083952) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine
PubChem CID171083952
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine
SMILESCCN1CCC(N2CC=CC=CC2)CC1
InChIInChI=1S/C13H22N2/c1-2-14-11-7-13(8-12-14)15-9-5-3-4-6-10-15/h3-6,13H,2,7-12H2,1H3
InChIKeyIQQWFAUFNGMMTN-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
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1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
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1-cyclohexyl-4-ethylpiperazine;hydrochloride
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4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde
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ethane;1-ethyl-4-methylpiperidine
CID 143737046
1-(1-ethylpiperidin-4-yl)pyrrolidine-3-sulfonamide
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1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine (CID 171083952) is 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine is CCN1CCC(N2CC=CC=CC2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine?
The InChIKey is IQQWFAUFNGMMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-14-11-7-13(8-12-14)15-9-5-3-4-6-10-15/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine?
1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine has a molecular weight of 206.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine is sourced from PubChem (CID 171083952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).