4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline

C21H26ClFN2 — CID 15923232

IUPAC4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline
SMILESFc1cc(Cl)ccc1NCCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H26ClFN2/c22-19-6-7-21(20(23)16-19)24-12-8-18-10-14-25(15-11-18)13-9-17-4-2-1-3-5-17/h1-7,16,18,24H,8-15H2
InChIKeyBJRBBGZAFGOAAC-UHFFFAOYSA-N
MW360.90 g/mol
LogP5.24
Rot. Bonds7

About 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline

4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline (PubChem CID 15923232) has the molecular formula C21H26ClFN2 and a molecular weight of 360.90 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline
PubChem CID15923232
Molecular FormulaC21H26ClFN2
Molecular Weight360.90 g/mol
Exact Mass360.18
IUPAC Name4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline
SMILESFc1cc(Cl)ccc1NCCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H26ClFN2/c22-19-6-7-21(20(23)16-19)24-12-8-18-10-14-25(15-11-18)13-9-17-4-2-1-3-5-17/h1-7,16,18,24H,8-15H2
InChIKeyBJRBBGZAFGOAAC-UHFFFAOYSA-N
XLogP5.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.90
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(2-phenylethyl)piperidine
CID 86059939
4-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889283
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
1-(5-chloro-2-methylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 23607953
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one
CID 67845427
4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine
CID 142912990
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine
CID 142855634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline (CID 15923232) is 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline is Fc1cc(Cl)ccc1NCCC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline?
The InChIKey is BJRBBGZAFGOAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN2/c22-19-6-7-21(20(23)16-19)24-12-8-18-10-14-25(15-11-18)13-9-17-4-2-1-3-5-17/h1-7,16,18,24H,8-15H2.
What are the key properties of 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline?
4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline has a molecular weight of 360.90 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline is sourced from PubChem (CID 15923232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).