4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane

C13H27N3 — CID 65461906

IUPAC4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane
SMILESCN1CCCC(N2CCNCC2(C)C)CC1
InChIInChI=1S/C13H27N3/c1-13(2)11-14-7-10-16(13)12-5-4-8-15(3)9-6-12/h12,14H,4-11H2,1-3H3
InChIKeyGURZWOKRVNZECZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds1

About 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane

4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane (PubChem CID 65461906) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane
PubChem CID65461906
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane
SMILESCN1CCCC(N2CCNCC2(C)C)CC1
InChIInChI=1S/C13H27N3/c1-13(2)11-14-7-10-16(13)12-5-4-8-15(3)9-6-12/h12,14H,4-11H2,1-3H3
InChIKeyGURZWOKRVNZECZ-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane (CID 65461906) is 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane is CN1CCCC(N2CCNCC2(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane?
The InChIKey is GURZWOKRVNZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2)11-14-7-10-16(13)12-5-4-8-15(3)9-6-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane?
4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane has a molecular weight of 225.38 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane is sourced from PubChem (CID 65461906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).