[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine

C14H21FN2O — CID 64769681

IUPAC[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOC1CCN(Cc2cc(F)ccc2CN)CC1
InChIInChI=1S/C14H21FN2O/c1-18-14-4-6-17(7-5-14)10-12-8-13(15)3-2-11(12)9-16/h2-3,8,14H,4-7,9-10,16H2,1H3
InChIKeyHIDMRTZFVLWFOF-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.90
Rot. Bonds4

About [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine

[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 64769681) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID64769681
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOC1CCN(Cc2cc(F)ccc2CN)CC1
InChIInChI=1S/C14H21FN2O/c1-18-14-4-6-17(7-5-14)10-12-8-13(15)3-2-11(12)9-16/h2-3,8,14H,4-7,9-10,16H2,1H3
InChIKeyHIDMRTZFVLWFOF-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
[5-fluoro-2-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]boronic acid
CID 103537516
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 66393414
[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 64768136
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
CID 64769291
4-[(4-methoxypiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 81118061

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine (CID 64769681) is [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine is COC1CCN(Cc2cc(F)ccc2CN)CC1.
What is the InChIKey of [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is HIDMRTZFVLWFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-14-4-6-17(7-5-14)10-12-8-13(15)3-2-11(12)9-16/h2-3,8,14H,4-7,9-10,16H2,1H3.
What are the key properties of [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine?
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 64769681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).