6-methyl-2-piperazin-1-yl-3H-azepine

C11H17N3 — CID 142941257

IUPAC6-methyl-2-piperazin-1-yl-3H-azepine
SMILESCC1=CN=C(N2CCNCC2)CC=C1
InChIInChI=1S/C11H17N3/c1-10-3-2-4-11(13-9-10)14-7-5-12-6-8-14/h2-3,9,12H,4-8H2,1H3
InChIKeyUVVLTKANXNXUKJ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.15
Rot. Bonds

About 6-methyl-2-piperazin-1-yl-3H-azepine

6-methyl-2-piperazin-1-yl-3H-azepine (PubChem CID 142941257) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 6-methyl-2-piperazin-1-yl-3H-azepine.

Molecular Properties

Compound Name6-methyl-2-piperazin-1-yl-3H-azepine
PubChem CID142941257
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name6-methyl-2-piperazin-1-yl-3H-azepine
SMILESCC1=CN=C(N2CCNCC2)CC=C1
InChIInChI=1S/C11H17N3/c1-10-3-2-4-11(13-9-10)14-7-5-12-6-8-14/h2-3,9,12H,4-8H2,1H3
InChIKeyUVVLTKANXNXUKJ-UHFFFAOYSA-N
XLogP1.15
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-(piperidin-4-yl)-3H-azepin-2-amine
CID 172418747
3-methyl-2-piperazin-1-yl-3H-azepine
CID 56612312
2-piperazin-1-yl-3H-azepine
CID 57155137
2-(4-methylpiperazin-1-yl)-3H-azepine
CID 90851137
2-(3-Methylpiperazin-1-yl)-3,4-dihydroazocine
CID 123782633
6-ethyl-2-piperazin-1-yl-3H-azepine
CID 132001988
2-[2-(ethylamino)ethyl-methylamino]-3H-azepine-6-carbonitrile
CID 139325057
2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 142160651
2-(3-methylpiperazin-1-yl)-3H-azepine
CID 142940907
ethane;1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine;2-(3-ethylpiperazin-1-yl)-6-methyl-3H-azepine
CID 142941168
(5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine
CID 142941226
1-N-ethyl-2-N-methyl-1-N-(5-methyl-3H-azepin-2-yl)propane-1,2-diamine
CID 142941284

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperazin-1-yl-3H-azepine?
The IUPAC name of 6-methyl-2-piperazin-1-yl-3H-azepine (CID 142941257) is 6-methyl-2-piperazin-1-yl-3H-azepine.
What is the SMILES notation for 6-methyl-2-piperazin-1-yl-3H-azepine?
The canonical SMILES for 6-methyl-2-piperazin-1-yl-3H-azepine is CC1=CN=C(N2CCNCC2)CC=C1.
What is the InChIKey of 6-methyl-2-piperazin-1-yl-3H-azepine?
The InChIKey is UVVLTKANXNXUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-3-2-4-11(13-9-10)14-7-5-12-6-8-14/h2-3,9,12H,4-8H2,1H3.
What are the key properties of 6-methyl-2-piperazin-1-yl-3H-azepine?
6-methyl-2-piperazin-1-yl-3H-azepine has a molecular weight of 191.28 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperazin-1-yl-3H-azepine is sourced from PubChem (CID 142941257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).