4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine

C18H19ClFNO — CID 45483429

IUPAC4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine
SMILESFc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1
InChIInChI=1S/C18H19ClFNO/c19-15-3-6-18(17(11-15)14-7-9-21-10-8-14)22-12-13-1-4-16(20)5-2-13/h1-6,11,14,21H,7-10,12H2
InChIKeyNSKFLKQWPVFAAE-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.53
Rot. Bonds4

About 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine

4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine (PubChem CID 45483429) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine.

Molecular Properties

Compound Name4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine
PubChem CID45483429
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine
SMILESFc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1
InChIInChI=1S/C18H19ClFNO/c19-15-3-6-18(17(11-15)14-7-9-21-10-8-14)22-12-13-1-4-16(20)5-2-13/h1-6,11,14,21H,7-10,12H2
InChIKeyNSKFLKQWPVFAAE-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-(4-Fluorophenoxy)phenyl)piperidine
CID 22599992
4-(2-Phenoxyphenyl)piperidine
CID 23113096
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-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9817317
Clopipazan
CID 43215
4-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263313
4-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263314
4-{3-[(3,4-Dichlorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263318
4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263322
4-{3-[(1R)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263323

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine?
The IUPAC name of 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine (CID 45483429) is 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine.
What is the SMILES notation for 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine?
The canonical SMILES for 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine is Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1.
What is the InChIKey of 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine?
The InChIKey is NSKFLKQWPVFAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c19-15-3-6-18(17(11-15)14-7-9-21-10-8-14)22-12-13-1-4-16(20)5-2-13/h1-6,11,14,21H,7-10,12H2.
What are the key properties of 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine?
4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine has a molecular weight of 319.81 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]piperidine is sourced from PubChem (CID 45483429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).