4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine

C16H22ClFN2O — CID 23102803

IUPAC4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine
SMILESFc1ccc(OC2CCN(C3CCNCC3)CC2)c(Cl)c1
InChIInChI=1S/C16H22ClFN2O/c17-15-11-12(18)1-2-16(15)21-14-5-9-20(10-6-14)13-3-7-19-8-4-13/h1-2,11,13-14,19H,3-10H2
InChIKeyXHJCECGMJQUEFX-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine

4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine (PubChem CID 23102803) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine
PubChem CID23102803
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine
SMILESFc1ccc(OC2CCN(C3CCNCC3)CC2)c(Cl)c1
InChIInChI=1S/C16H22ClFN2O/c17-15-11-12(18)1-2-16(15)21-14-5-9-20(10-6-14)13-3-7-19-8-4-13/h1-2,11,13-14,19H,3-10H2
InChIKeyXHJCECGMJQUEFX-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine (CID 23102803) is 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine is Fc1ccc(OC2CCN(C3CCNCC3)CC2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine?
The InChIKey is XHJCECGMJQUEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c17-15-11-12(18)1-2-16(15)21-14-5-9-20(10-6-14)13-3-7-19-8-4-13/h1-2,11,13-14,19H,3-10H2.
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine?
4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine has a molecular weight of 312.82 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 23102803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).