3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline

C14H21FN2O — CID 63971877

IUPAC3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline
SMILESCOCC1CCN(Cc2c(N)cccc2F)CC1
InChIInChI=1S/C14H21FN2O/c1-18-10-11-5-7-17(8-6-11)9-12-13(15)3-2-4-14(12)16/h2-4,11H,5-10,16H2,1H3
InChIKeyMTHWFQJQDVULSL-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.27
Rot. Bonds4

About 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline

3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline (PubChem CID 63971877) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline
PubChem CID63971877
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline
SMILESCOCC1CCN(Cc2c(N)cccc2F)CC1
InChIInChI=1S/C14H21FN2O/c1-18-10-11-5-7-17(8-6-11)9-12-13(15)3-2-4-14(12)16/h2-4,11H,5-10,16H2,1H3
InChIKeyMTHWFQJQDVULSL-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline
CID 63330761
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 106269061
3-fluoro-2-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 63330878
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
CID 120834571
5-[[4-(methoxymethyl)piperidin-1-yl]methyl]pyrazin-2-amine
CID 103056498
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838824
4-fluoro-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 63973088
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline?
The IUPAC name of 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline (CID 63971877) is 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline.
What is the SMILES notation for 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline?
The canonical SMILES for 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline is COCC1CCN(Cc2c(N)cccc2F)CC1.
What is the InChIKey of 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline?
The InChIKey is MTHWFQJQDVULSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-10-11-5-7-17(8-6-11)9-12-13(15)3-2-4-14(12)16/h2-4,11H,5-10,16H2,1H3.
What are the key properties of 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline?
3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline has a molecular weight of 252.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline is sourced from PubChem (CID 63971877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).