4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine

C20H24FNO2 — CID 155387352

IUPAC4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine
SMILESCOc1ccc(C(c2ccc(F)cc2)C2CCNCC2)cc1OC
InChIInChI=1S/C20H24FNO2/c1-23-18-8-5-16(13-19(18)24-2)20(15-9-11-22-12-10-15)14-3-6-17(21)7-4-14/h3-8,13,15,20,22H,9-12H2,1-2H3
InChIKeyIWXSZJPSLVYFRX-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.97
Rot. Bonds5

About 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine

4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine (PubChem CID 155387352) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine
PubChem CID155387352
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine
SMILESCOc1ccc(C(c2ccc(F)cc2)C2CCNCC2)cc1OC
InChIInChI=1S/C20H24FNO2/c1-23-18-8-5-16(13-19(18)24-2)20(15-9-11-22-12-10-15)14-3-6-17(21)7-4-14/h3-8,13,15,20,22H,9-12H2,1-2H3
InChIKeyIWXSZJPSLVYFRX-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol
CID 116825142
4-[1-(2-methoxyphenoxy)ethyl]piperidine
CID 105496691
4-[(4-fluorophenyl)-methoxymethyl]piperidine
CID 10585185
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 82304521
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
CID 175461872
(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308332

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine (CID 155387352) is 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine is COc1ccc(C(c2ccc(F)cc2)C2CCNCC2)cc1OC.
What is the InChIKey of 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine?
The InChIKey is IWXSZJPSLVYFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-23-18-8-5-16(13-19(18)24-2)20(15-9-11-22-12-10-15)14-3-6-17(21)7-4-14/h3-8,13,15,20,22H,9-12H2,1-2H3.
What are the key properties of 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine?
4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine has a molecular weight of 329.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 155387352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).