6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine

C12H20N2 — CID 143449330

IUPAC6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine
SMILESCC1=C(N2CCCCC2)N=CCCC1
InChIInChI=1S/C12H20N2/c1-11-7-3-4-8-13-12(11)14-9-5-2-6-10-14/h8H,2-7,9-10H2,1H3
InChIKeyVFWHFTKAEYNYBC-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.96
Rot. Bonds1

About 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine

6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine (PubChem CID 143449330) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine.

Molecular Properties

Compound Name6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine
PubChem CID143449330
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine
SMILESCC1=C(N2CCCCC2)N=CCCC1
InChIInChI=1S/C12H20N2/c1-11-7-3-4-8-13-12(11)14-9-5-2-6-10-14/h8H,2-7,9-10H2,1H3
InChIKeyVFWHFTKAEYNYBC-UHFFFAOYSA-N
XLogP2.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine?
The IUPAC name of 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine (CID 143449330) is 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine.
What is the SMILES notation for 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine?
The canonical SMILES for 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine is CC1=C(N2CCCCC2)N=CCCC1.
What is the InChIKey of 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine?
The InChIKey is VFWHFTKAEYNYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-7-3-4-8-13-12(11)14-9-5-2-6-10-14/h8H,2-7,9-10H2,1H3.
What are the key properties of 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine?
6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine has a molecular weight of 192.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine is sourced from PubChem (CID 143449330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).