1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine

C19H23F3N2S — CID 58788226

IUPAC1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)s3)cc2)CC1
InChIInChI=1S/C19H23F3N2S/c1-2-24-11-9-16(10-12-24)23-13-14-3-5-15(6-4-14)17-7-8-18(25-17)19(20,21)22/h3-8,16,23H,2,9-13H2,1H3
InChIKeyIPCXPQMIGPSFNN-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.01
Rot. Bonds5

About 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine

1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine (PubChem CID 58788226) has the molecular formula C19H23F3N2S and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine
PubChem CID58788226
Molecular FormulaC19H23F3N2S
Molecular Weight368.47 g/mol
Exact Mass368.15
IUPAC Name1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)s3)cc2)CC1
InChIInChI=1S/C19H23F3N2S/c1-2-24-11-9-16(10-12-24)23-13-14-3-5-15(6-4-14)17-7-8-18(25-17)19(20,21)22/h3-8,16,23H,2,9-13H2,1H3
InChIKeyIPCXPQMIGPSFNN-UHFFFAOYSA-N
XLogP5.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine (CID 58788226) is 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine is CCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)s3)cc2)CC1.
What is the InChIKey of 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine?
The InChIKey is IPCXPQMIGPSFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2S/c1-2-24-11-9-16(10-12-24)23-13-14-3-5-15(6-4-14)17-7-8-18(25-17)19(20,21)22/h3-8,16,23H,2,9-13H2,1H3.
What are the key properties of 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine?
1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine has a molecular weight of 368.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 58788226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).