1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine

C15H23FN2O — CID 82304521

IUPAC1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
SMILESCOc1ccc(F)cc1C(C1CCNCC1)N(C)C
InChIInChI=1S/C15H23FN2O/c1-18(2)15(11-6-8-17-9-7-11)13-10-12(16)4-5-14(13)19-3/h4-5,10-11,15,17H,6-9H2,1-3H3
InChIKeyNRYHIAQOZQMPAZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.44
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine

1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine (PubChem CID 82304521) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
PubChem CID82304521
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
SMILESCOc1ccc(F)cc1C(C1CCNCC1)N(C)C
InChIInChI=1S/C15H23FN2O/c1-18(2)15(11-6-8-17-9-7-11)13-10-12(16)4-5-14(13)19-3/h4-5,10-11,15,17H,6-9H2,1-3H3
InChIKeyNRYHIAQOZQMPAZ-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
4-[(R)-(3,4-dimethoxyphenyl)-(4-fluorophenyl)methyl]piperidine
CID 155387352
N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
CID 164631617
4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol
CID 116911216
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82771557
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate
CID 116857401
1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906884
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine (CID 82304521) is 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine is COc1ccc(F)cc1C(C1CCNCC1)N(C)C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine?
The InChIKey is NRYHIAQOZQMPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(2)15(11-6-8-17-9-7-11)13-10-12(16)4-5-14(13)19-3/h4-5,10-11,15,17H,6-9H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine?
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 82304521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).