1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine

C19H23N3S — CID 15079634

IUPAC1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine
SMILESC1=C(c2cccs2)CCC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C19H23N3S/c1-2-10-20-19(5-1)22-13-11-21(12-14-22)17-8-6-16(7-9-17)18-4-3-15-23-18/h1-6,10,15,17H,7-9,11-14H2
InChIKeyCXONTQZSVJEICK-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.90
Rot. Bonds3

About 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine

1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine (PubChem CID 15079634) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine
PubChem CID15079634
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine
SMILESC1=C(c2cccs2)CCC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C19H23N3S/c1-2-10-20-19(5-1)22-13-11-21(12-14-22)17-8-6-16(7-9-17)18-4-3-15-23-18/h1-6,10,15,17H,7-9,11-14H2
InChIKeyCXONTQZSVJEICK-UHFFFAOYSA-N
XLogP3.90
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine?
The IUPAC name of 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine (CID 15079634) is 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine is C1=C(c2cccs2)CCC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine?
The InChIKey is CXONTQZSVJEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-2-10-20-19(5-1)22-13-11-21(12-14-22)17-8-6-16(7-9-17)18-4-3-15-23-18/h1-6,10,15,17H,7-9,11-14H2.
What are the key properties of 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine?
1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine has a molecular weight of 325.48 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-(4-thiophen-2-ylcyclohex-3-en-1-yl)piperazine is sourced from PubChem (CID 15079634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).