ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline

C22H31FN2 — CID 142099253

IUPACethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline
SMILESCC.Fc1ccc(CCN2CCCC(CNc3ccccc3)C2)cc1
InChIInChI=1S/C20H25FN2.C2H6/c21-19-10-8-17(9-11-19)12-14-23-13-4-5-18(16-23)15-22-20-6-2-1-3-7-20;1-2/h1-3,6-11,18,22H,4-5,12-16H2;1-2H3
InChIKeyBYAPDRJFRJBMTG-UHFFFAOYSA-N
MW342.50 g/mol
LogP5.22
Rot. Bonds6

About ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline

ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline (PubChem CID 142099253) has the molecular formula C22H31FN2 and a molecular weight of 342.50 g/mol. Its IUPAC name is ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline.

Molecular Properties

Compound Nameethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline
PubChem CID142099253
Molecular FormulaC22H31FN2
Molecular Weight342.50 g/mol
Exact Mass342.25
IUPAC Nameethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline
SMILESCC.Fc1ccc(CCN2CCCC(CNc3ccccc3)C2)cc1
InChIInChI=1S/C20H25FN2.C2H6/c21-19-10-8-17(9-11-19)12-14-23-13-4-5-18(16-23)15-22-20-6-2-1-3-7-20;1-2/h1-3,6-11,18,22H,4-5,12-16H2;1-2H3
InChIKeyBYAPDRJFRJBMTG-UHFFFAOYSA-N
XLogP5.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
CID 26392696
N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
methyl 2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylcarbamoyl]benzoate
CID 25369950
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 62656306
1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-propylurea
CID 25448302
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline?
The IUPAC name of ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline (CID 142099253) is ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline.
What is the SMILES notation for ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline?
The canonical SMILES for ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline is CC.Fc1ccc(CCN2CCCC(CNc3ccccc3)C2)cc1.
What is the InChIKey of ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline?
The InChIKey is BYAPDRJFRJBMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2.C2H6/c21-19-10-8-17(9-11-19)12-14-23-13-4-5-18(16-23)15-22-20-6-2-1-3-7-20;1-2/h1-3,6-11,18,22H,4-5,12-16H2;1-2H3.
What are the key properties of ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline?
ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline has a molecular weight of 342.50 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline is sourced from PubChem (CID 142099253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).