4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride

C9H14Cl3N3O — CID 118917570

IUPAC4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride
SMILESCl.Cl.Clc1cc(OC2CCNCC2)ncn1
InChIInChI=1S/C9H12ClN3O.2ClH/c10-8-5-9(13-6-12-8)14-7-1-3-11-4-2-7;;/h5-7,11H,1-4H2;2*1H
InChIKeyIEEXJWTWSODWIA-UHFFFAOYSA-N
MW286.59 g/mol
LogP2.10
Rot. Bonds2

About 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride

4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride (PubChem CID 118917570) has the molecular formula C9H14Cl3N3O and a molecular weight of 286.59 g/mol. Its IUPAC name is 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride
PubChem CID118917570
Molecular FormulaC9H14Cl3N3O
Molecular Weight286.59 g/mol
Exact Mass285.02
IUPAC Name4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride
SMILESCl.Cl.Clc1cc(OC2CCNCC2)ncn1
InChIInChI=1S/C9H12ClN3O.2ClH/c10-8-5-9(13-6-12-8)14-7-1-3-11-4-2-7;;/h5-7,11H,1-4H2;2*1H
InChIKeyIEEXJWTWSODWIA-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.59
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride?
The IUPAC name of 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride (CID 118917570) is 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride.
What is the SMILES notation for 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride?
The canonical SMILES for 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride is Cl.Cl.Clc1cc(OC2CCNCC2)ncn1.
What is the InChIKey of 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride?
The InChIKey is IEEXJWTWSODWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O.2ClH/c10-8-5-9(13-6-12-8)14-7-1-3-11-4-2-7;;/h5-7,11H,1-4H2;2*1H.
What are the key properties of 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride?
4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride has a molecular weight of 286.59 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-4-yloxypyrimidine;dihydrochloride is sourced from PubChem (CID 118917570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).