2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine

C13H15ClF3N — CID 117445162

IUPAC2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1cccc(Cl)c1CC1CCCCN1
InChIInChI=1S/C13H15ClF3N/c14-12-6-3-5-11(13(15,16)17)10(12)8-9-4-1-2-7-18-9/h3,5-6,9,18H,1-2,4,7-8H2
InChIKeyBLBGOLNNCOHYJX-UHFFFAOYSA-N
MW277.72 g/mol
LogP4.04
Rot. Bonds2

About 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine

2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 117445162) has the molecular formula C13H15ClF3N and a molecular weight of 277.72 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID117445162
Molecular FormulaC13H15ClF3N
Molecular Weight277.72 g/mol
Exact Mass277.08
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1cccc(Cl)c1CC1CCCCN1
InChIInChI=1S/C13H15ClF3N/c14-12-6-3-5-11(13(15,16)17)10(12)8-9-4-1-2-7-18-9/h3,5-6,9,18H,1-2,4,7-8H2
InChIKeyBLBGOLNNCOHYJX-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-6-chlorophenyl)methyl]piperidine
CID 117466290
2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol
CID 117473840
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780
(2R)-N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 28951007
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195066
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117467262
4-chloro-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84640324

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine (CID 117445162) is 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1cccc(Cl)c1CC1CCCCN1.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is BLBGOLNNCOHYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N/c14-12-6-3-5-11(13(15,16)17)10(12)8-9-4-1-2-7-18-9/h3,5-6,9,18H,1-2,4,7-8H2.
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine?
2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 277.72 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117445162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).