4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine

C14H18F3NO — CID 106778601

IUPAC4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCC1CCNCC1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-10-6-7-18-9-12(10)8-11-2-4-13(5-3-11)19-14(15,16)17/h2-5,10,12,18H,6-9H2,1H3
InChIKeyADFLSBIYQYZGRW-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.37
Rot. Bonds3

About 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine

4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (PubChem CID 106778601) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
PubChem CID106778601
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCC1CCNCC1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-10-6-7-18-9-12(10)8-11-2-4-13(5-3-11)19-14(15,16)17/h2-5,10,12,18H,6-9H2,1H3
InChIKeyADFLSBIYQYZGRW-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 102954321
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine
CID 106779364
4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 66524896
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine;2,2,2-trifluoroacetic acid
CID 127021374
N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 64505434
(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620
N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119553445
4-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 84787592
(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine
CID 54239492

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The IUPAC name of 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (CID 106778601) is 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is CC1CCNCC1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The InChIKey is ADFLSBIYQYZGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10-6-7-18-9-12(10)8-11-2-4-13(5-3-11)19-14(15,16)17/h2-5,10,12,18H,6-9H2,1H3.
What are the key properties of 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 106778601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).