1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine

C20H25FN2O2 — CID 7357181

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine
SMILESCOc1ccc(OC)c(CN2CCC(Nc3ccccc3F)CC2)c1
InChIInChI=1S/C20H25FN2O2/c1-24-17-7-8-20(25-2)15(13-17)14-23-11-9-16(10-12-23)22-19-6-4-3-5-18(19)21/h3-8,13,16,22H,9-12,14H2,1-2H3
InChIKeyFCFVKUKANZKWCY-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.92
Rot. Bonds6

About 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine

1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine (PubChem CID 7357181) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine
PubChem CID7357181
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine
SMILESCOc1ccc(OC)c(CN2CCC(Nc3ccccc3F)CC2)c1
InChIInChI=1S/C20H25FN2O2/c1-24-17-7-8-20(25-2)15(13-17)14-23-11-9-16(10-12-23)22-19-6-4-3-5-18(19)21/h3-8,13,16,22H,9-12,14H2,1-2H3
InChIKeyFCFVKUKANZKWCY-UHFFFAOYSA-N
XLogP3.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 165435291
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 4222218
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
N-[(2,5-dimethoxyphenyl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 42157993
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 81494890
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 172891896
[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 7346256
N-[(2S)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide
CID 37350876
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine (CID 7357181) is 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine is COc1ccc(OC)c(CN2CCC(Nc3ccccc3F)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine?
The InChIKey is FCFVKUKANZKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-24-17-7-8-20(25-2)15(13-17)14-23-11-9-16(10-12-23)22-19-6-4-3-5-18(19)21/h3-8,13,16,22H,9-12,14H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine?
1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine has a molecular weight of 344.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 7357181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).