N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine

C20H25FN2O2 — CID 164631617

IUPACN-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1cccc([C@H](NC2CCNCC2)c2cc(F)ccc2OC)c1
InChIInChI=1S/C20H25FN2O2/c1-24-17-5-3-4-14(12-17)20(23-16-8-10-22-11-9-16)18-13-15(21)6-7-19(18)25-2/h3-7,12-13,16,20,22-23H,8-11H2,1-2H3/t20-/m0/s1
InChIKeyICGRBVCJODVSCY-FQEVSTJZSA-N
MW344.43 g/mol
LogP3.27
Rot. Bonds6

About N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine

N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 164631617) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID164631617
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1cccc([C@H](NC2CCNCC2)c2cc(F)ccc2OC)c1
InChIInChI=1S/C20H25FN2O2/c1-24-17-5-3-4-14(12-17)20(23-16-8-10-22-11-9-16)18-13-15(21)6-7-19(18)25-2/h3-7,12-13,16,20,22-23H,8-11H2,1-2H3/t20-/m0/s1
InChIKeyICGRBVCJODVSCY-FQEVSTJZSA-N
XLogP3.27
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809463
6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine
CID 133341736
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809451
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 82304521
N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine
CID 22111110
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide
CID 97341188
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133341748
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119809465
[(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283657
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine (CID 164631617) is N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine is COc1cccc([C@H](NC2CCNCC2)c2cc(F)ccc2OC)c1.
What is the InChIKey of N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is ICGRBVCJODVSCY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-24-17-5-3-4-14(12-17)20(23-16-8-10-22-11-9-16)18-13-15(21)6-7-19(18)25-2/h3-7,12-13,16,20,22-23H,8-11H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine?
N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 344.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 164631617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).