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

C28H32Cl2N4 — CID 71200229

IUPAC1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine
SMILESCCCN(CC1CC1)C1CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C28H32Cl2N4/c1-2-15-34(19-20-3-4-20)25-13-16-33(17-14-25)26-18-31-27(21-5-9-23(29)10-6-21)28(32-26)22-7-11-24(30)12-8-22/h5-12,18,20,25H,2-4,13-17,19H2,1H3
InChIKeyUKPYRGIVLZVRRT-UHFFFAOYSA-N
MW495.50 g/mol
LogP7.21
Rot. Bonds8

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

1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine (PubChem CID 71200229) has the molecular formula C28H32Cl2N4 and a molecular weight of 495.50 g/mol. Its IUPAC name is 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine
PubChem CID71200229
Molecular FormulaC28H32Cl2N4
Molecular Weight495.50 g/mol
Exact Mass494.20
IUPAC Name1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine
SMILESCCCN(CC1CC1)C1CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C28H32Cl2N4/c1-2-15-34(19-20-3-4-20)25-13-16-33(17-14-25)26-18-31-27(21-5-9-23(29)10-6-21)28(32-26)22-7-11-24(30)12-8-22/h5-12,18,20,25H,2-4,13-17,19H2,1H3
InChIKeyUKPYRGIVLZVRRT-UHFFFAOYSA-N
XLogP7.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.50
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-(cyclopropylmethyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine (CID 71200229) is 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine is CCCN(CC1CC1)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-(cyclopropylmethyl)-N-propylpiperidin-4-amine?
The InChIKey is UKPYRGIVLZVRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N4/c1-2-15-34(19-20-3-4-20)25-13-16-33(17-14-25)26-18-31-27(21-5-9-23(29)10-6-21)28(32-26)22-7-11-24(30)12-8-22/h5-12,18,20,25H,2-4,13-17,19H2,1H3.
What are the key properties of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine?
1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine has a molecular weight of 495.50 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-(cyclopropylmethyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 71200229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).