1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine

C18H27ClN2O — CID 44563687

IUPAC1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine
SMILESClc1cccc(OCCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H27ClN2O/c19-16-5-4-6-18(15-16)22-14-13-20-11-7-17(8-12-20)21-9-2-1-3-10-21/h4-6,15,17H,1-3,7-14H2
InChIKeyWAJYSTRYZLFXJI-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine

1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine (PubChem CID 44563687) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine
PubChem CID44563687
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine
SMILESClc1cccc(OCCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H27ClN2O/c19-16-5-4-6-18(15-16)22-14-13-20-11-7-17(8-12-20)21-9-2-1-3-10-21/h4-6,15,17H,1-3,7-14H2
InChIKeyWAJYSTRYZLFXJI-UHFFFAOYSA-N
XLogP3.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine (CID 44563687) is 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine is Clc1cccc(OCCN2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine?
The InChIKey is WAJYSTRYZLFXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c19-16-5-4-6-18(15-16)22-14-13-20-11-7-17(8-12-20)21-9-2-1-3-10-21/h4-6,15,17H,1-3,7-14H2.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine?
1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine has a molecular weight of 322.88 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 44563687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).