2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine

C9H11Cl2N3 — CID 142745770

IUPAC2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
SMILESClc1nccc(N2CCC(Cl)CC2)n1
InChIInChI=1S/C9H11Cl2N3/c10-7-2-5-14(6-3-7)8-1-4-12-9(11)13-8/h1,4,7H,2-3,5-6H2
InChIKeyVUEULVVCYAFOPM-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.34
Rot. Bonds1

About 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine

2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine (PubChem CID 142745770) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
PubChem CID142745770
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
SMILESClc1nccc(N2CCC(Cl)CC2)n1
InChIInChI=1S/C9H11Cl2N3/c10-7-2-5-14(6-3-7)8-1-4-12-9(11)13-8/h1,4,7H,2-3,5-6H2
InChIKeyVUEULVVCYAFOPM-UHFFFAOYSA-N
XLogP2.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 22308329
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
2-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 62341695
1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62344447
ethyl (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 129499368
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
[1-(2-chloropyrimidin-4-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174432844
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 62343451
4-(2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 62968346
2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
CID 63161724
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
[1-(2-chloropyrimidin-4-yl)azetidin-3-yl]carbamic acid
CID 151158754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine (CID 142745770) is 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine is Clc1nccc(N2CCC(Cl)CC2)n1.
What is the InChIKey of 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine?
The InChIKey is VUEULVVCYAFOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c10-7-2-5-14(6-3-7)8-1-4-12-9(11)13-8/h1,4,7H,2-3,5-6H2.
What are the key properties of 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine?
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine has a molecular weight of 232.11 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine is sourced from PubChem (CID 142745770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).