4-(1-piperazin-1-ylethyl)azepane

C12H25N3 — CID 82394500

IUPAC4-(1-piperazin-1-ylethyl)azepane
SMILESCC(C1CCCNCC1)N1CCNCC1
InChIInChI=1S/C12H25N3/c1-11(15-9-7-14-8-10-15)12-3-2-5-13-6-4-12/h11-14H,2-10H2,1H3
InChIKeyPPZASUPHXOBKIN-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.67
Rot. Bonds2

About 4-(1-piperazin-1-ylethyl)azepane

4-(1-piperazin-1-ylethyl)azepane (PubChem CID 82394500) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(1-piperazin-1-ylethyl)azepane.

Molecular Properties

Compound Name4-(1-piperazin-1-ylethyl)azepane
PubChem CID82394500
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-(1-piperazin-1-ylethyl)azepane
SMILESCC(C1CCCNCC1)N1CCNCC1
InChIInChI=1S/C12H25N3/c1-11(15-9-7-14-8-10-15)12-3-2-5-13-6-4-12/h11-14H,2-10H2,1H3
InChIKeyPPZASUPHXOBKIN-UHFFFAOYSA-N
XLogP0.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-(1-pyrrolidin-1-ylethyl)piperidine);hydrate;tetrahydrochloride
CID 53398924
propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167698824
1-[1-(azetidin-3-yl)ethyl]piperazine
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4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid
CID 170432830
4-(1-fluoroethyl)azepane
CID 105428868
1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine
CID 97297803
1-[(1S)-1-[(2S)-piperidin-2-yl]ethyl]piperazine
CID 97297801
1-[1-(oxolan-2-yl)ethyl]piperazine
CID 60862286
cyclohexyl(piperazin-1-yl)methanamine
CID 116939842
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
1-(azepan-4-yl)ethyl 2,2-dimethylpropanoate
CID 174702344
3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine
CID 79678119

Frequently Asked Questions

What is the IUPAC name of 4-(1-piperazin-1-ylethyl)azepane?
The IUPAC name of 4-(1-piperazin-1-ylethyl)azepane (CID 82394500) is 4-(1-piperazin-1-ylethyl)azepane.
What is the SMILES notation for 4-(1-piperazin-1-ylethyl)azepane?
The canonical SMILES for 4-(1-piperazin-1-ylethyl)azepane is CC(C1CCCNCC1)N1CCNCC1.
What is the InChIKey of 4-(1-piperazin-1-ylethyl)azepane?
The InChIKey is PPZASUPHXOBKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11(15-9-7-14-8-10-15)12-3-2-5-13-6-4-12/h11-14H,2-10H2,1H3.
What are the key properties of 4-(1-piperazin-1-ylethyl)azepane?
4-(1-piperazin-1-ylethyl)azepane has a molecular weight of 211.35 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperazin-1-ylethyl)azepane is sourced from PubChem (CID 82394500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).