3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine

C17H25ClN2O — CID 120852346

IUPAC3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine
SMILESClc1ccccc1OC1CCCN(CC2CCNCC2)C1
InChIInChI=1S/C17H25ClN2O/c18-16-5-1-2-6-17(16)21-15-4-3-11-20(13-15)12-14-7-9-19-10-8-14/h1-2,5-6,14-15,19H,3-4,7-13H2
InChIKeyKEAPCTYEYSDNEZ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.18
Rot. Bonds4

About 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine

3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine (PubChem CID 120852346) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine
PubChem CID120852346
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine
SMILESClc1ccccc1OC1CCCN(CC2CCNCC2)C1
InChIInChI=1S/C17H25ClN2O/c18-16-5-1-2-6-17(16)21-15-4-3-11-20(13-15)12-14-7-9-19-10-8-14/h1-2,5-6,14-15,19H,3-4,7-13H2
InChIKeyKEAPCTYEYSDNEZ-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine?
The IUPAC name of 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine (CID 120852346) is 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine.
What is the SMILES notation for 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine?
The canonical SMILES for 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine is Clc1ccccc1OC1CCCN(CC2CCNCC2)C1.
What is the InChIKey of 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine?
The InChIKey is KEAPCTYEYSDNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-16-5-1-2-6-17(16)21-15-4-3-11-20(13-15)12-14-7-9-19-10-8-14/h1-2,5-6,14-15,19H,3-4,7-13H2.
What are the key properties of 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine?
3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine has a molecular weight of 308.85 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine is sourced from PubChem (CID 120852346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).