3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C16H23F3N2 — CID 114507825

IUPAC3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc(C(F)(F)F)cc2)CCC1NC
InChIInChI=1S/C16H23F3N2/c1-3-13-11-21(9-8-15(13)20-2)10-12-4-6-14(7-5-12)16(17,18)19/h4-7,13,15,20H,3,8-11H2,1-2H3
InChIKeyLUHOEQLAMAGTRP-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.53
Rot. Bonds4

About 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 114507825) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID114507825
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc(C(F)(F)F)cc2)CCC1NC
InChIInChI=1S/C16H23F3N2/c1-3-13-11-21(9-8-15(13)20-2)10-12-4-6-14(7-5-12)16(17,18)19/h4-7,13,15,20H,3,8-11H2,1-2H3
InChIKeyLUHOEQLAMAGTRP-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 114507762
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 112630040
[4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol
CID 114507523
1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507833
3-ethyl-N-methyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 114507998
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine
CID 114507320
3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 114507900
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
CID 102875920
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
1,2-diethyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine
CID 111922891
3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine
CID 107040761

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 114507825) is 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is CCC1CN(Cc2ccc(C(F)(F)F)cc2)CCC1NC.
What is the InChIKey of 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is LUHOEQLAMAGTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-13-11-21(9-8-15(13)20-2)10-12-4-6-14(7-5-12)16(17,18)19/h4-7,13,15,20H,3,8-11H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 114507825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).