4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine

C20H26ClN5 — CID 70775017

IUPAC4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESClc1ccccc1C1(c2ccnc(NC3CCNCC3)n2)CCNCC1
InChIInChI=1S/C20H26ClN5/c21-17-4-2-1-3-16(17)20(8-13-23-14-9-20)18-7-12-24-19(26-18)25-15-5-10-22-11-6-15/h1-4,7,12,15,22-23H,5-6,8-11,13-14H2,(H,24,25,26)
InChIKeyBUTRUBDVQYWFIY-UHFFFAOYSA-N
MW371.92 g/mol
LogP2.96
Rot. Bonds4

About 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine

4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 70775017) has the molecular formula C20H26ClN5 and a molecular weight of 371.92 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID70775017
Molecular FormulaC20H26ClN5
Molecular Weight371.92 g/mol
Exact Mass371.19
IUPAC Name4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESClc1ccccc1C1(c2ccnc(NC3CCNCC3)n2)CCNCC1
InChIInChI=1S/C20H26ClN5/c21-17-4-2-1-3-16(17)20(8-13-23-14-9-20)18-7-12-24-19(26-18)25-15-5-10-22-11-6-15/h1-4,7,12,15,22-23H,5-6,8-11,13-14H2,(H,24,25,26)
InChIKeyBUTRUBDVQYWFIY-UHFFFAOYSA-N
XLogP2.96
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine (CID 70775017) is 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine is Clc1ccccc1C1(c2ccnc(NC3CCNCC3)n2)CCNCC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is BUTRUBDVQYWFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5/c21-17-4-2-1-3-16(17)20(8-13-23-14-9-20)18-7-12-24-19(26-18)25-15-5-10-22-11-6-15/h1-4,7,12,15,22-23H,5-6,8-11,13-14H2,(H,24,25,26).
What are the key properties of 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine?
4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 371.92 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 70775017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).