1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine

C16H25FN2O — CID 63855146

IUPAC1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
SMILESCNC(C)C1CCCN(Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H25FN2O/c1-12(18-2)14-5-4-8-19(11-14)10-13-6-7-16(20-3)15(17)9-13/h6-7,9,12,14,18H,4-5,8,10-11H2,1-3H3
InChIKeyJRQZXAKAXJLNNF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.65
Rot. Bonds5

About 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine

1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine (PubChem CID 63855146) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
PubChem CID63855146
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
SMILESCNC(C)C1CCCN(Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H25FN2O/c1-12(18-2)14-5-4-8-19(11-14)10-13-6-7-16(20-3)15(17)9-13/h6-7,9,12,14,18H,4-5,8,10-11H2,1-3H3
InChIKeyJRQZXAKAXJLNNF-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64858598
N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-3-yl]ethanamine
CID 63854795
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986057
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
CID 25370484

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine (CID 63855146) is 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine is CNC(C)C1CCCN(Cc2ccc(OC)c(F)c2)C1.
What is the InChIKey of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
The InChIKey is JRQZXAKAXJLNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(18-2)14-5-4-8-19(11-14)10-13-6-7-16(20-3)15(17)9-13/h6-7,9,12,14,18H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine is sourced from PubChem (CID 63855146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).