N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine

C21H24ClF3N2 — CID 166631037

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESFC(F)(F)c1cccc(CN(CCc2ccccc2)C2CCNCC2)c1Cl
InChIInChI=1S/C21H24ClF3N2/c22-20-17(7-4-8-19(20)21(23,24)25)15-27(18-9-12-26-13-10-18)14-11-16-5-2-1-3-6-16/h1-8,18,26H,9-15H2
InChIKeyKIQBYJKUUCHHPK-UHFFFAOYSA-N
MW396.88 g/mol
LogP5.16
Rot. Bonds6

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 166631037) has the molecular formula C21H24ClF3N2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID166631037
Molecular FormulaC21H24ClF3N2
Molecular Weight396.88 g/mol
Exact Mass396.16
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESFC(F)(F)c1cccc(CN(CCc2ccccc2)C2CCNCC2)c1Cl
InChIInChI=1S/C21H24ClF3N2/c22-20-17(7-4-8-19(20)21(23,24)25)15-27(18-9-12-26-13-10-18)14-11-16-5-2-1-3-6-16/h1-8,18,26H,9-15H2
InChIKeyKIQBYJKUUCHHPK-UHFFFAOYSA-N
XLogP5.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Norchlorcyclizine
CID 9340
Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
1-(2-phenylethyl)-N-[3-(trifluoromethyl)benzyl]-4-piperidinamine
CID 26458299
1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 784405
Norchlorcyclizine, (+)-
CID 6540880
1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
CID 11325506

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine (CID 166631037) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine is FC(F)(F)c1cccc(CN(CCc2ccccc2)C2CCNCC2)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is KIQBYJKUUCHHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF3N2/c22-20-17(7-4-8-19(20)21(23,24)25)15-27(18-9-12-26-13-10-18)14-11-16-5-2-1-3-6-16/h1-8,18,26H,9-15H2.
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 396.88 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 166631037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).