3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine

C14H19ClFNO — CID 107882752

IUPAC3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
SMILESFc1cc(COCCC2CCCNC2)ccc1Cl
InChIInChI=1S/C14H19ClFNO/c15-13-4-3-12(8-14(13)16)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2
InChIKeyPQUCQFBZEAUGFP-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.39
Rot. Bonds5

About 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine

3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine (PubChem CID 107882752) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
PubChem CID107882752
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
SMILESFc1cc(COCCC2CCCNC2)ccc1Cl
InChIInChI=1S/C14H19ClFNO/c15-13-4-3-12(8-14(13)16)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2
InChIKeyPQUCQFBZEAUGFP-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
CID 86320757
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
3-[2-[(3-fluoro-4-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795960
(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
CID 86321802
3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine
CID 83050877
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine?
The IUPAC name of 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine (CID 107882752) is 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine?
The canonical SMILES for 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine is Fc1cc(COCCC2CCCNC2)ccc1Cl.
What is the InChIKey of 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine?
The InChIKey is PQUCQFBZEAUGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-13-4-3-12(8-14(13)16)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2.
What are the key properties of 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine?
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine has a molecular weight of 271.76 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 107882752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).