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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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).