1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine

C27H32Cl2N4 — CID 143313735

IUPAC1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine
SMILESCCCN(CCC)C1CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C27H32Cl2N4/c1-3-15-32(16-4-2)24-13-17-33(18-14-24)25-19-30-26(20-5-9-22(28)10-6-20)27(31-25)21-7-11-23(29)12-8-21/h5-12,19,24H,3-4,13-18H2,1-2H3
InChIKeyRMGGYCCPWSGDON-UHFFFAOYSA-N
MW483.49 g/mol
LogP7.21
Rot. Bonds8

About 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine

1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine (PubChem CID 143313735) has the molecular formula C27H32Cl2N4 and a molecular weight of 483.49 g/mol. Its IUPAC name is 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine
PubChem CID143313735
Molecular FormulaC27H32Cl2N4
Molecular Weight483.49 g/mol
Exact Mass482.20
IUPAC Name1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine
SMILESCCCN(CCC)C1CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C27H32Cl2N4/c1-3-15-32(16-4-2)24-13-17-33(18-14-24)25-19-30-26(20-5-9-22(28)10-6-20)27(31-25)21-7-11-23(29)12-8-21/h5-12,19,24H,3-4,13-18H2,1-2H3
InChIKeyRMGGYCCPWSGDON-UHFFFAOYSA-N
XLogP7.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine?
The IUPAC name of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine (CID 143313735) is 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine.
What is the SMILES notation for 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine?
The canonical SMILES for 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine is CCCN(CCC)C1CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine?
The InChIKey is RMGGYCCPWSGDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N4/c1-3-15-32(16-4-2)24-13-17-33(18-14-24)25-19-30-26(20-5-9-22(28)10-6-20)27(31-25)21-7-11-23(29)12-8-21/h5-12,19,24H,3-4,13-18H2,1-2H3.
What are the key properties of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine?
1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine has a molecular weight of 483.49 g/mol, XLogP of 7.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine is sourced from PubChem (CID 143313735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).