5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine

C20H24Cl2N4 — CID 11372742

IUPAC5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
SMILESClc1cc(Cl)cc(-c2cnc(N3CCC(N4CCCCC4)CC3)nc2)c1
InChIInChI=1S/C20H24Cl2N4/c21-17-10-15(11-18(22)12-17)16-13-23-20(24-14-16)26-8-4-19(5-9-26)25-6-2-1-3-7-25/h10-14,19H,1-9H2
InChIKeyIQIMMBLXSWEOAT-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.91
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine

5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine (PubChem CID 11372742) has the molecular formula C20H24Cl2N4 and a molecular weight of 391.35 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
PubChem CID11372742
Molecular FormulaC20H24Cl2N4
Molecular Weight391.35 g/mol
Exact Mass390.14
IUPAC Name5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
SMILESClc1cc(Cl)cc(-c2cnc(N3CCC(N4CCCCC4)CC3)nc2)c1
InChIInChI=1S/C20H24Cl2N4/c21-17-10-15(11-18(22)12-17)16-13-23-20(24-14-16)26-8-4-19(5-9-26)25-6-2-1-3-7-25/h10-14,19H,1-9H2
InChIKeyIQIMMBLXSWEOAT-UHFFFAOYSA-N
XLogP4.91
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-5-yl]benzonitrile
CID 11348597
2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
CID 79076184
3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 166600645
2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 63587650
N-(3-chloro-4-fluorophenyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
CID 18946241
3-chloro-5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridazine
CID 114478285
5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine
CID 61227700
2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 91001774
2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 22308329
4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020
2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553688
4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
CID 79256164

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine (CID 11372742) is 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine is Clc1cc(Cl)cc(-c2cnc(N3CCC(N4CCCCC4)CC3)nc2)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The InChIKey is IQIMMBLXSWEOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4/c21-17-10-15(11-18(22)12-17)16-13-23-20(24-14-16)26-8-4-19(5-9-26)25-6-2-1-3-7-25/h10-14,19H,1-9H2.
What are the key properties of 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine has a molecular weight of 391.35 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 11372742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).