N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine

C14H21FN2O — CID 63643030

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCOc1ccc(F)cc1CN(C)C1CCCNC1
InChIInChI=1S/C14H21FN2O/c1-17(13-4-3-7-16-9-13)10-11-8-12(15)5-6-14(11)18-2/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyGWAQZYSRSWRMJA-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.02
Rot. Bonds4

About N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine

N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 63643030) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
PubChem CID63643030
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCOc1ccc(F)cc1CN(C)C1CCCNC1
InChIInChI=1S/C14H21FN2O/c1-17(13-4-3-7-16-9-13)10-11-8-12(15)5-6-14(11)18-2/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyGWAQZYSRSWRMJA-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
CID 105372573
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine
CID 104974360

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine (CID 63643030) is N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine is COc1ccc(F)cc1CN(C)C1CCCNC1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is GWAQZYSRSWRMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17(13-4-3-7-16-9-13)10-11-8-12(15)5-6-14(11)18-2/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 252.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 63643030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).