3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline

C13H19FN2O — CID 114262773

IUPAC3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
SMILESCOc1cc(F)cc(NCC2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-17-13-7-11(14)6-12(8-13)16-9-10-2-4-15-5-3-10/h6-8,10,15-16H,2-5,9H2,1H3
InChIKeySUTXPRKQFBSGKV-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.25
Rot. Bonds4

About 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline

3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline (PubChem CID 114262773) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
PubChem CID114262773
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
SMILESCOc1cc(F)cc(NCC2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-17-13-7-11(14)6-12(8-13)16-9-10-2-4-15-5-3-10/h6-8,10,15-16H,2-5,9H2,1H3
InChIKeySUTXPRKQFBSGKV-UHFFFAOYSA-N
XLogP2.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-methoxy-N-(piperidin-2-ylmethyl)aniline
CID 114262758
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84780627
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline
CID 107582312
N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline
CID 59230383
N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline
CID 104574770
5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 162422916
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
CID 28614317
N-(3,5-dimethoxyphenyl)-2-piperidin-4-ylacetamide
CID 24703765
2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 107527336
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline (CID 114262773) is 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline is COc1cc(F)cc(NCC2CCNCC2)c1.
What is the InChIKey of 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is SUTXPRKQFBSGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-13-7-11(14)6-12(8-13)16-9-10-2-4-15-5-3-10/h6-8,10,15-16H,2-5,9H2,1H3.
What are the key properties of 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline?
3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 238.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 114262773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).