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

C14H29N3 — CID 65463327

IUPAC4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane
SMILESCCN1CCCC(N2CCNCC2(C)C)CC1
InChIInChI=1S/C14H29N3/c1-4-16-9-5-6-13(7-10-16)17-11-8-15-12-14(17,2)3/h13,15H,4-12H2,1-3H3
InChIKeyNRXKXDQMAWBRGZ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds2

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

4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane (PubChem CID 65463327) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane
PubChem CID65463327
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane
SMILESCCN1CCCC(N2CCNCC2(C)C)CC1
InChIInChI=1S/C14H29N3/c1-4-16-9-5-6-13(7-10-16)17-11-8-15-12-14(17,2)3/h13,15H,4-12H2,1-3H3
InChIKeyNRXKXDQMAWBRGZ-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
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-ethylazepane?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane (CID 65463327) is 4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane is CCN1CCCC(N2CCNCC2(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane?
The InChIKey is NRXKXDQMAWBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-16-9-5-6-13(7-10-16)17-11-8-15-12-14(17,2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane?
4-(2,2-dimethylpiperazin-1-yl)-1-ethylazepane has a molecular weight of 239.41 g/mol, XLogP of 1.54, 2 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-ethylazepane is sourced from PubChem (CID 65463327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).