3-(4-pyridin-2-ylpiperazin-1-yl)azepane

C15H24N4 — CID 62642071

IUPAC3-(4-pyridin-2-ylpiperazin-1-yl)azepane
SMILESc1ccc(N2CCN(C3CCCCNC3)CC2)nc1
InChIInChI=1S/C15H24N4/c1-3-7-16-13-14(5-1)18-9-11-19(12-10-18)15-6-2-4-8-17-15/h2,4,6,8,14,16H,1,3,5,7,9-13H2
InChIKeyDLMZKNQGLZAOPM-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.35
Rot. Bonds2

About 3-(4-pyridin-2-ylpiperazin-1-yl)azepane

3-(4-pyridin-2-ylpiperazin-1-yl)azepane (PubChem CID 62642071) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazin-1-yl)azepane.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazin-1-yl)azepane
PubChem CID62642071
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-(4-pyridin-2-ylpiperazin-1-yl)azepane
SMILESc1ccc(N2CCN(C3CCCCNC3)CC2)nc1
InChIInChI=1S/C15H24N4/c1-3-7-16-13-14(5-1)18-9-11-19(12-10-18)15-6-2-4-8-17-15/h2,4,6,8,14,16H,1,3,5,7,9-13H2
InChIKeyDLMZKNQGLZAOPM-UHFFFAOYSA-N
XLogP1.35
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]azepan-2-one
CID 126893583
1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
1-(2-bromophenyl)-4-piperidin-3-ylpiperazine
CID 117026187
3-[4-(3-methylphenyl)piperazin-1-yl]azepane
CID 62642253
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
2-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-amine
CID 60725656
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893632

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)azepane?
The IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)azepane (CID 62642071) is 3-(4-pyridin-2-ylpiperazin-1-yl)azepane.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazin-1-yl)azepane?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazin-1-yl)azepane is c1ccc(N2CCN(C3CCCCNC3)CC2)nc1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazin-1-yl)azepane?
The InChIKey is DLMZKNQGLZAOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-7-16-13-14(5-1)18-9-11-19(12-10-18)15-6-2-4-8-17-15/h2,4,6,8,14,16H,1,3,5,7,9-13H2.
What are the key properties of 3-(4-pyridin-2-ylpiperazin-1-yl)azepane?
3-(4-pyridin-2-ylpiperazin-1-yl)azepane has a molecular weight of 260.38 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazin-1-yl)azepane is sourced from PubChem (CID 62642071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).