1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine

C19H22ClNO2 — CID 70111550

IUPAC1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine
SMILESCC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)N1CCCCC1
InChIInChI=1S/C19H22ClNO2/c1-15(21-13-3-2-4-14-21)22-17-9-11-19(12-10-17)23-18-7-5-16(20)6-8-18/h5-12,15H,2-4,13-14H2,1H3
InChIKeyQIGWHJFZKQEPNY-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.34
Rot. Bonds5

About 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine

1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine (PubChem CID 70111550) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine
PubChem CID70111550
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine
SMILESCC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)N1CCCCC1
InChIInChI=1S/C19H22ClNO2/c1-15(21-13-3-2-4-14-21)22-17-9-11-19(12-10-17)23-18-7-5-16(20)6-8-18/h5-12,15H,2-4,13-14H2,1H3
InChIKeyQIGWHJFZKQEPNY-UHFFFAOYSA-N
XLogP5.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride
CID 23223043
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
2-[4-(4-chlorophenoxy)phenoxy]propanethioamide
CID 12804845
4-[1-(4-bromophenoxy)ethyl]morpholine
CID 18446587
2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 53286449
(cyclohexylideneamino) 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 13334447
1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
CID 70142379
2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
CID 154646156
1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239854
2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
CID 90871387

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine (CID 70111550) is 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine is CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)N1CCCCC1.
What is the InChIKey of 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine?
The InChIKey is QIGWHJFZKQEPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-15(21-13-3-2-4-14-21)22-17-9-11-19(12-10-17)23-18-7-5-16(20)6-8-18/h5-12,15H,2-4,13-14H2,1H3.
What are the key properties of 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine?
1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine has a molecular weight of 331.84 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-chlorophenoxy)phenoxy]ethyl]piperidine is sourced from PubChem (CID 70111550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).