5-chloro-2-piperidin-4-ylpyrimidine

C9H12ClN3 — CID 55262357

IUPAC5-chloro-2-piperidin-4-ylpyrimidine
SMILESClc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C9H12ClN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h5-7,11H,1-4H2
InChIKeyMZFILKOHQHVLSO-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.60
Rot. Bonds1

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

5-chloro-2-piperidin-4-ylpyrimidine (PubChem CID 55262357) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-piperidin-4-ylpyrimidine
PubChem CID55262357
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name5-chloro-2-piperidin-4-ylpyrimidine
SMILESClc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C9H12ClN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h5-7,11H,1-4H2
InChIKeyMZFILKOHQHVLSO-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.60
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?
The IUPAC name of 5-chloro-2-piperidin-4-ylpyrimidine (CID 55262357) is 5-chloro-2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 5-chloro-2-piperidin-4-ylpyrimidine?
The canonical SMILES for 5-chloro-2-piperidin-4-ylpyrimidine is Clc1cnc(C2CCNCC2)nc1.
What is the InChIKey of 5-chloro-2-piperidin-4-ylpyrimidine?
The InChIKey is MZFILKOHQHVLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h5-7,11H,1-4H2.
What are the key properties of 5-chloro-2-piperidin-4-ylpyrimidine?
5-chloro-2-piperidin-4-ylpyrimidine has a molecular weight of 197.67 g/mol, XLogP of 1.60, 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 is sourced from PubChem (CID 55262357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).