4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine

C20H24FNO — CID 139510278

IUPAC4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine
SMILESFCCOc1cccc(C(c2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C20H24FNO/c21-11-14-23-19-8-4-7-18(15-19)20(16-5-2-1-3-6-16)17-9-12-22-13-10-17/h1-8,15,17,20,22H,9-14H2
InChIKeyZKDTTWGCDPKQEI-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.17
Rot. Bonds6

About 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine

4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine (PubChem CID 139510278) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine.

Molecular Properties

Compound Name4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine
PubChem CID139510278
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine
SMILESFCCOc1cccc(C(c2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C20H24FNO/c21-11-14-23-19-8-4-7-18(15-19)20(16-5-2-1-3-6-16)17-9-12-22-13-10-17/h1-8,15,17,20,22H,9-14H2
InChIKeyZKDTTWGCDPKQEI-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[phenyl(piperidin-4-yl)methyl]phenyl]methanamine
CID 174413647
4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
4-[(3-ethoxyphenyl)-fluoromethyl]piperidine
CID 112563653
(4aR)-6-[4-[(S)-[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 139517867
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 124514391
4-benzhydrylpiperidine;hexan-1-ol
CID 174445924
(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314167
3-[3-(2-fluoroethoxy)phenyl]piperidine
CID 84688599
6-[4-[(S)-[3-(2-fluoroethoxy)phenyl]-(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 151768251
3-[3-(2-fluoroethoxy)phenyl]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 78132070
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine?
The IUPAC name of 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine (CID 139510278) is 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine.
What is the SMILES notation for 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine?
The canonical SMILES for 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine is FCCOc1cccc(C(c2ccccc2)C2CCNCC2)c1.
What is the InChIKey of 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine?
The InChIKey is ZKDTTWGCDPKQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c21-11-14-23-19-8-4-7-18(15-19)20(16-5-2-1-3-6-16)17-9-12-22-13-10-17/h1-8,15,17,20,22H,9-14H2.
What are the key properties of 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine?
4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine has a molecular weight of 313.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine is sourced from PubChem (CID 139510278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).