2-piperidin-4-yloxypyrimidine;hydrochloride

C9H14ClN3O — CID 22591438

IUPAC2-piperidin-4-yloxypyrimidine;hydrochloride
SMILESCl.c1cnc(OC2CCNCC2)nc1
InChIInChI=1S/C9H13N3O.ClH/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8;/h1,4-5,8,10H,2-3,6-7H2;1H
InChIKeyDTIWOXHQDAKZOZ-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.03
Rot. Bonds2

About 2-piperidin-4-yloxypyrimidine;hydrochloride

2-piperidin-4-yloxypyrimidine;hydrochloride (PubChem CID 22591438) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-piperidin-4-yloxypyrimidine;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yloxypyrimidine;hydrochloride
PubChem CID22591438
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-piperidin-4-yloxypyrimidine;hydrochloride
SMILESCl.c1cnc(OC2CCNCC2)nc1
InChIInChI=1S/C9H13N3O.ClH/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8;/h1,4-5,8,10H,2-3,6-7H2;1H
InChIKeyDTIWOXHQDAKZOZ-UHFFFAOYSA-N
XLogP1.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-4-yloxypyrimidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxypyrimidine;hydrochloride?
The IUPAC name of 2-piperidin-4-yloxypyrimidine;hydrochloride (CID 22591438) is 2-piperidin-4-yloxypyrimidine;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yloxypyrimidine;hydrochloride?
The canonical SMILES for 2-piperidin-4-yloxypyrimidine;hydrochloride is Cl.c1cnc(OC2CCNCC2)nc1.
What is the InChIKey of 2-piperidin-4-yloxypyrimidine;hydrochloride?
The InChIKey is DTIWOXHQDAKZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8;/h1,4-5,8,10H,2-3,6-7H2;1H.
What are the key properties of 2-piperidin-4-yloxypyrimidine;hydrochloride?
2-piperidin-4-yloxypyrimidine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxypyrimidine;hydrochloride is sourced from PubChem (CID 22591438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).