ethane;6-methyl-2-piperidin-1-yl-4H-azepine

C14H24N2 — CID 143901677

IUPACethane;6-methyl-2-piperidin-1-yl-4H-azepine
SMILESCC.CC1=CCC=C(N2CCCCC2)N=C1
InChIInChI=1S/C12H18N2.C2H6/c1-11-6-5-7-12(13-10-11)14-8-3-2-4-9-14;1-2/h6-7,10H,2-5,8-9H2,1H3;1-2H3
InChIKeyFEONCLCKADTAQB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.76
Rot. Bonds1

About ethane;6-methyl-2-piperidin-1-yl-4H-azepine

ethane;6-methyl-2-piperidin-1-yl-4H-azepine (PubChem CID 143901677) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;6-methyl-2-piperidin-1-yl-4H-azepine.

Molecular Properties

Compound Nameethane;6-methyl-2-piperidin-1-yl-4H-azepine
PubChem CID143901677
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;6-methyl-2-piperidin-1-yl-4H-azepine
SMILESCC.CC1=CCC=C(N2CCCCC2)N=C1
InChIInChI=1S/C12H18N2.C2H6/c1-11-6-5-7-12(13-10-11)14-8-3-2-4-9-14;1-2/h6-7,10H,2-5,8-9H2,1H3;1-2H3
InChIKeyFEONCLCKADTAQB-UHFFFAOYSA-N
XLogP3.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine
CID 57063594
5-Methyl-2-piperidin-1-yl-2,3-dihydropyridine
CID 129215968
(4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine
CID 130224206
2-piperidin-1-yl-4H-azepine
CID 134292058
ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093197
(Z)-N-[1-(azepan-1-yl)ethenyl]-2-methylpent-2-en-1-imine
CID 173520328
(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093198
6-methyl-2-piperidin-1-yl-4H-azepine
CID 143901678
(Z,2Z)-2-ethylidene-4-methyl-N-[1-(4-methylpiperidin-1-yl)ethenyl]pent-3-en-1-imine
CID 144405744
(Z,Z)-2-ethyl-N-[2-methyl-1-(4-methylpiperidin-1-yl)prop-1-enyl]but-2-en-1-imine
CID 144405793
(Z,Z)-2-ethyl-N-[1-(4-methylpiperidin-1-yl)ethenyl]but-2-en-1-imine
CID 144405849
(Z,Z)-2-cyclopropyl-N-[1-(4-methylpiperidin-1-yl)ethenyl]but-2-en-1-imine
CID 144405991

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-piperidin-1-yl-4H-azepine?
The IUPAC name of ethane;6-methyl-2-piperidin-1-yl-4H-azepine (CID 143901677) is ethane;6-methyl-2-piperidin-1-yl-4H-azepine.
What is the SMILES notation for ethane;6-methyl-2-piperidin-1-yl-4H-azepine?
The canonical SMILES for ethane;6-methyl-2-piperidin-1-yl-4H-azepine is CC.CC1=CCC=C(N2CCCCC2)N=C1.
What is the InChIKey of ethane;6-methyl-2-piperidin-1-yl-4H-azepine?
The InChIKey is FEONCLCKADTAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-11-6-5-7-12(13-10-11)14-8-3-2-4-9-14;1-2/h6-7,10H,2-5,8-9H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2-piperidin-1-yl-4H-azepine?
ethane;6-methyl-2-piperidin-1-yl-4H-azepine has a molecular weight of 220.36 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-piperidin-1-yl-4H-azepine is sourced from PubChem (CID 143901677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).