[4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone

C22H26ClFN2O — CID 166234702

IUPAC[4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone
SMILESCN(CCCc1c(F)cccc1Cl)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26ClFN2O/c1-25(14-6-9-19-20(23)10-5-11-21(19)24)18-12-15-26(16-13-18)22(27)17-7-3-2-4-8-17/h2-5,7-8,10-11,18H,6,9,12-16H2,1H3
InChIKeyTVGSVEIRPGTGHY-UHFFFAOYSA-N
MW388.91 g/mol
LogP4.65
Rot. Bonds6

About [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone

[4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone (PubChem CID 166234702) has the molecular formula C22H26ClFN2O and a molecular weight of 388.91 g/mol. Its IUPAC name is [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone
PubChem CID166234702
Molecular FormulaC22H26ClFN2O
Molecular Weight388.91 g/mol
Exact Mass388.17
IUPAC Name[4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone
SMILESCN(CCCc1c(F)cccc1Cl)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26ClFN2O/c1-25(14-6-9-19-20(23)10-5-11-21(19)24)18-12-15-26(16-13-18)22(27)17-7-3-2-4-8-17/h2-5,7-8,10-11,18H,6,9,12-16H2,1H3
InChIKeyTVGSVEIRPGTGHY-UHFFFAOYSA-N
XLogP4.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.91
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-[3-(2-chloro-6-fluorophenyl)propyl]azepan-4-yl]-methylamino]acetic acid
CID 122043467
3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381510
[4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone
CID 166204898
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
1,1,3-trimethyl-3-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 23285019
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
CID 119173154
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958
1-[2-(2-chloro-6-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750840

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone (CID 166234702) is [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone is CN(CCCc1c(F)cccc1Cl)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone?
The InChIKey is TVGSVEIRPGTGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O/c1-25(14-6-9-19-20(23)10-5-11-21(19)24)18-12-15-26(16-13-18)22(27)17-7-3-2-4-8-17/h2-5,7-8,10-11,18H,6,9,12-16H2,1H3.
What are the key properties of [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone?
[4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone has a molecular weight of 388.91 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 166234702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).