ethane;7-piperidin-1-yl-4H-azepine

C13H22N2 — CID 144801123

IUPACethane;7-piperidin-1-yl-4H-azepine
SMILESC1=CN=C(N2CCCCC2)C=CC1.CC
InChIInChI=1S/C11H16N2.C2H6/c1-3-7-11(12-8-4-1)13-9-5-2-6-10-13;1-2/h3-4,7-8H,1-2,5-6,9-10H2;1-2H3
InChIKeyPMTIGQNKLNZPSD-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.37
Rot. Bonds

About ethane;7-piperidin-1-yl-4H-azepine

ethane;7-piperidin-1-yl-4H-azepine (PubChem CID 144801123) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;7-piperidin-1-yl-4H-azepine.

Molecular Properties

Compound Nameethane;7-piperidin-1-yl-4H-azepine
PubChem CID144801123
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;7-piperidin-1-yl-4H-azepine
SMILESC1=CN=C(N2CCCCC2)C=CC1.CC
InChIInChI=1S/C11H16N2.C2H6/c1-3-7-11(12-8-4-1)13-9-5-2-6-10-13;1-2/h3-4,7-8H,1-2,5-6,9-10H2;1-2H3
InChIKeyPMTIGQNKLNZPSD-UHFFFAOYSA-N
XLogP3.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Piperidin-1-yl)-3H-azepine
CID 14115561
7-(4-methylpiperazin-1-yl)-4H-azepine
CID 143306016
ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine
CID 145149515
N-[(Z)-pent-2-en-3-yl]-1-piperidin-1-ylethanimine
CID 143696033
7-piperidin-1-yl-4H-azepine
CID 144801124
(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine
CID 145149516
(2Z)-N,4-dimethyl-1-piperidin-1-ylpenta-2,4-dien-1-imine
CID 171811214

Frequently Asked Questions

What is the IUPAC name of ethane;7-piperidin-1-yl-4H-azepine?
The IUPAC name of ethane;7-piperidin-1-yl-4H-azepine (CID 144801123) is ethane;7-piperidin-1-yl-4H-azepine.
What is the SMILES notation for ethane;7-piperidin-1-yl-4H-azepine?
The canonical SMILES for ethane;7-piperidin-1-yl-4H-azepine is C1=CN=C(N2CCCCC2)C=CC1.CC.
What is the InChIKey of ethane;7-piperidin-1-yl-4H-azepine?
The InChIKey is PMTIGQNKLNZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-3-7-11(12-8-4-1)13-9-5-2-6-10-13;1-2/h3-4,7-8H,1-2,5-6,9-10H2;1-2H3.
What are the key properties of ethane;7-piperidin-1-yl-4H-azepine?
ethane;7-piperidin-1-yl-4H-azepine has a molecular weight of 206.33 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-piperidin-1-yl-4H-azepine is sourced from PubChem (CID 144801123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).