[1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine

C16H25FN2O — CID 114832487

IUPAC[1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(C(C)Cc2ccccc2F)C(CN)C1
InChIInChI=1S/C16H25FN2O/c1-12(9-13-5-3-4-6-16(13)17)19-8-7-15(20-2)10-14(19)11-18/h3-6,12,14-15H,7-11,18H2,1-2H3
InChIKeyIPQVTNDIICWQLD-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.19
Rot. Bonds5

About [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine

[1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 114832487) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID114832487
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(C(C)Cc2ccccc2F)C(CN)C1
InChIInChI=1S/C16H25FN2O/c1-12(9-13-5-3-4-6-16(13)17)19-8-7-15(20-2)10-14(19)11-18/h3-6,12,14-15H,7-11,18H2,1-2H3
InChIKeyIPQVTNDIICWQLD-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine
CID 114832334
[4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
CID 115963082
3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol
CID 112621904
[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
CID 115963202
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile
CID 112622861
[4-methoxy-1-(1-methoxybutan-2-yl)piperidin-2-yl]methanamine
CID 112622134
[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790
(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
CID 112622846
[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine (CID 114832487) is [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine is COC1CCN(C(C)Cc2ccccc2F)C(CN)C1.
What is the InChIKey of [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is IPQVTNDIICWQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(9-13-5-3-4-6-16(13)17)19-8-7-15(20-2)10-14(19)11-18/h3-6,12,14-15H,7-11,18H2,1-2H3.
What are the key properties of [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine?
[1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 280.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 114832487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).