3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine

C18H19ClFNO — CID 11324650

IUPAC3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(C(Oc2ccc(Cl)cc2)C2CCCNC2)cc1
InChIInChI=1S/C18H19ClFNO/c19-15-5-9-17(10-6-15)22-18(14-2-1-11-21-12-14)13-3-7-16(20)8-4-13/h3-10,14,18,21H,1-2,11-12H2
InChIKeyAUZWJAMWJZUPHQ-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.60
Rot. Bonds4

About 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine

3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine (PubChem CID 11324650) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine
PubChem CID11324650
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(C(Oc2ccc(Cl)cc2)C2CCCNC2)cc1
InChIInChI=1S/C18H19ClFNO/c19-15-5-9-17(10-6-15)22-18(14-2-1-11-21-12-14)13-3-7-16(20)8-4-13/h3-10,14,18,21H,1-2,11-12H2
InChIKeyAUZWJAMWJZUPHQ-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-(4-Fluorophenoxy)phenyl)piperidine
CID 22599992
4-(2-(Benzyloxy)-6-fluorophenyl)piperidine
CID 45483406
4-(2-(Benzyloxy)phenyl)piperidine
CID 45483529
4-[(4-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9795842
4-[(4-Fluoro-phenyl)-(4-methoxy-phenoxy)-methyl]-piperidine
CID 9796947
4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9817317
4-[(4-Fluoro-phenoxy)-(4-fluoro-phenyl)-methyl]-piperidine
CID 9817902
1-[3-(p-Fluorophenoxy)-propyl]-4-(p-chlorophenyl)-4-hydroxypiperidine
CID 21527771
(3R)-3-[(S)-(2-chloro-3,6-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 44625569
(R)-3-[(S)-(3,5-dichlorophenoxy)phenylmethyl]pyrrolidine
CID 44625571
(3S)-3-[(R)-(2-chloro-3,6-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 71562833
Ampreloxetine
CID 46189893

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine (CID 11324650) is 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine is Fc1ccc(C(Oc2ccc(Cl)cc2)C2CCCNC2)cc1.
What is the InChIKey of 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine?
The InChIKey is AUZWJAMWJZUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c19-15-5-9-17(10-6-15)22-18(14-2-1-11-21-12-14)13-3-7-16(20)8-4-13/h3-10,14,18,21H,1-2,11-12H2.
What are the key properties of 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine?
3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine has a molecular weight of 319.81 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)-(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 11324650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).