N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine

C16H23F3N2 — CID 63854243

IUPACN-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H23F3N2/c1-3-20-12(2)13-8-10-21(11-9-13)15-6-4-14(5-7-15)16(17,18)19/h4-7,12-13,20H,3,8-11H2,1-2H3
InChIKeyDVPJBLWDEQRGES-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.92
Rot. Bonds4

About N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine

N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine (PubChem CID 63854243) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine
PubChem CID63854243
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H23F3N2/c1-3-20-12(2)13-8-10-21(11-9-13)15-6-4-14(5-7-15)16(17,18)19/h4-7,12-13,20H,3,8-11H2,1-2H3
InChIKeyDVPJBLWDEQRGES-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
CID 103976672
1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine
CID 168755966
1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
CID 145175028
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
CID 142379007
1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine
CID 55257621
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63532857
(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
CID 97337783
6-methyl-4-(pyrimidin-2-ylmethoxy)-1-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]pyridin-2-one
CID 170763292
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine (CID 63854243) is N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine is CCNC(C)C1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine?
The InChIKey is DVPJBLWDEQRGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-20-12(2)13-8-10-21(11-9-13)15-6-4-14(5-7-15)16(17,18)19/h4-7,12-13,20H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine?
N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine has a molecular weight of 300.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63854243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).