2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride

C12H16ClN5 — CID 3071759

IUPAC2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride
SMILESCl.c1cn(-c2nccc(N3CCCCC3)n2)cn1
InChIInChI=1S/C12H15N5.ClH/c1-2-7-16(8-3-1)11-4-5-14-12(15-11)17-9-6-13-10-17;/h4-6,9-10H,1-3,7-8H2;1H
InChIKeyOHGHAUULKGPVLV-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.07
Rot. Bonds2

About 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride

2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride (PubChem CID 3071759) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride
PubChem CID3071759
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride
SMILESCl.c1cn(-c2nccc(N3CCCCC3)n2)cn1
InChIInChI=1S/C12H15N5.ClH/c1-2-7-16(8-3-1)11-4-5-14-12(15-11)17-9-6-13-10-17;/h4-6,9-10H,1-3,7-8H2;1H
InChIKeyOHGHAUULKGPVLV-UHFFFAOYSA-N
XLogP2.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride (CID 3071759) is 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride is Cl.c1cn(-c2nccc(N3CCCCC3)n2)cn1.
What is the InChIKey of 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride?
The InChIKey is OHGHAUULKGPVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5.ClH/c1-2-7-16(8-3-1)11-4-5-14-12(15-11)17-9-6-13-10-17;/h4-6,9-10H,1-3,7-8H2;1H.
What are the key properties of 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride?
2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride has a molecular weight of 265.75 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-piperidin-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 3071759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).