N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine

C20H25FN2O — CID 175567978

IUPACN-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C20H25FN2O/c1-23-11-9-19(10-12-23)22-14-17-3-2-4-20(13-17)24-15-16-5-7-18(21)8-6-16/h2-8,13,19,22H,9-12,14-15H2,1H3
InChIKeyXRLSFJSXLYAWFQ-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.59
Rot. Bonds6

About N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine

N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 175567978) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
PubChem CID175567978
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C20H25FN2O/c1-23-11-9-19(10-12-23)22-14-17-3-2-4-20(13-17)24-15-16-5-7-18(21)8-6-16/h2-8,13,19,22H,9-12,14-15H2,1H3
InChIKeyXRLSFJSXLYAWFQ-UHFFFAOYSA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628103
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-benzyl-1-methylpiperidin-4-amine
CID 1114650

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine (CID 175567978) is N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2cccc(OCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is XRLSFJSXLYAWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-23-11-9-19(10-12-23)22-14-17-3-2-4-20(13-17)24-15-16-5-7-18(21)8-6-16/h2-8,13,19,22H,9-12,14-15H2,1H3.
What are the key properties of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine?
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 328.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 175567978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).