N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H18ClF3N2 — CID 43772111

IUPACN-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClF3N2/c15-12-3-1-11(2-4-12)9-19-13-5-7-20(8-6-13)10-14(16,17)18/h1-4,13,19H,5-10H2
InChIKeyBZLDRRJXDFNZAK-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.46
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43772111) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43772111
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClF3N2/c15-12-3-1-11(2-4-12)9-19-13-5-7-20(8-6-13)10-14(16,17)18/h1-4,13,19H,5-10H2
InChIKeyBZLDRRJXDFNZAK-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107084
4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide
CID 119107058
N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43768782
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
1-(2,2,2-trifluoroethyl)-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 119107086
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814
N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81270640
1-[(4-chlorophenyl)methyl]-1,2-dimethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111293966
1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 142590713

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43772111) is N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is BZLDRRJXDFNZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c15-12-3-1-11(2-4-12)9-19-13-5-7-20(8-6-13)10-14(16,17)18/h1-4,13,19H,5-10H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 306.76 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43772111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).