N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C16H23F3N2 — CID 104870097

IUPACN-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1C(F)(F)F)CC1CCCNC1
InChIInChI=1S/C16H23F3N2/c1-2-21(11-13-6-5-9-20-10-13)12-14-7-3-4-8-15(14)16(17,18)19/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3
InChIKeyRLPJOIHCNMQXOV-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.53
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 104870097) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID104870097
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1C(F)(F)F)CC1CCCNC1
InChIInChI=1S/C16H23F3N2/c1-2-21(11-13-6-5-9-20-10-13)12-14-7-3-4-8-15(14)16(17,18)19/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3
InChIKeyRLPJOIHCNMQXOV-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624705
N-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106622610
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 104870097) is N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is CCN(Cc1ccccc1C(F)(F)F)CC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is RLPJOIHCNMQXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-2-21(11-13-6-5-9-20-10-13)12-14-7-3-4-8-15(14)16(17,18)19/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 300.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 104870097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).