5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride

C9H13Cl2N3 — CID 71529243

IUPAC5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride
SMILESCl.Clc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C9H12ClN3.ClH/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7;/h5-7,11H,1-4H2;1H
InChIKeyJCZGAYXHGSPADO-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.02
Rot. Bonds1

About 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride

5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride (PubChem CID 71529243) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride
PubChem CID71529243
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride
SMILESCl.Clc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C9H12ClN3.ClH/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7;/h5-7,11H,1-4H2;1H
InChIKeyJCZGAYXHGSPADO-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride?
The IUPAC name of 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride (CID 71529243) is 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride.
What is the SMILES notation for 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride?
The canonical SMILES for 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride is Cl.Clc1cnc(C2CCNCC2)nc1.
What is the InChIKey of 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride?
The InChIKey is JCZGAYXHGSPADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3.ClH/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7;/h5-7,11H,1-4H2;1H.
What are the key properties of 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride?
5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-piperidin-4-ylpyrimidine;hydrochloride is sourced from PubChem (CID 71529243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).