1-(2-piperazin-1-ylethyl)azocane

C13H27N3 — CID 60851971

IUPAC1-(2-piperazin-1-ylethyl)azocane
SMILESC1CCCN(CCN2CCNCC2)CCC1
InChIInChI=1S/C13H27N3/c1-2-4-8-15(9-5-3-1)12-13-16-10-6-14-7-11-16/h14H,1-13H2
InChIKeyPTUCWPJJTICGOV-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.16
Rot. Bonds3

About 1-(2-piperazin-1-ylethyl)azocane

1-(2-piperazin-1-ylethyl)azocane (PubChem CID 60851971) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)azocane.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)azocane
PubChem CID60851971
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(2-piperazin-1-ylethyl)azocane
SMILESC1CCCN(CCN2CCNCC2)CCC1
InChIInChI=1S/C13H27N3/c1-2-4-8-15(9-5-3-1)12-13-16-10-6-14-7-11-16/h14H,1-13H2
InChIKeyPTUCWPJJTICGOV-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-piperazin-1-ylethyl)azocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-(piperidin-1-ylmethyl)piperazine
CID 20508970
2-morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427
2-(1,4-diazepan-1-yl)ethanol
CID 2736550
piperidine;1-propylpiperidine
CID 67843364
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
1-(2-piperazin-1-ylethylsulfonyl)azepane
CID 54974083
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)azocane?
The IUPAC name of 1-(2-piperazin-1-ylethyl)azocane (CID 60851971) is 1-(2-piperazin-1-ylethyl)azocane.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)azocane?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)azocane is C1CCCN(CCN2CCNCC2)CCC1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)azocane?
The InChIKey is PTUCWPJJTICGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-4-8-15(9-5-3-1)12-13-16-10-6-14-7-11-16/h14H,1-13H2.
What are the key properties of 1-(2-piperazin-1-ylethyl)azocane?
1-(2-piperazin-1-ylethyl)azocane has a molecular weight of 225.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)azocane is sourced from PubChem (CID 60851971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).