1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine

C14H17ClF3NO — CID 130192199

IUPAC1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2cc(Cl)cc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C14H17ClF3NO/c1-10-2-4-19(5-3-10)9-11-6-12(15)8-13(7-11)20-14(16,17)18/h6-8,10H,2-5,9H2,1H3
InChIKeyPFQOBEZTJCDLGA-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.47
Rot. Bonds3

About 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine

1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine (PubChem CID 130192199) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
PubChem CID130192199
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC Name1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2cc(Cl)cc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C14H17ClF3NO/c1-10-2-4-19(5-3-10)9-11-6-12(15)8-13(7-11)20-14(16,17)18/h6-8,10H,2-5,9H2,1H3
InChIKeyPFQOBEZTJCDLGA-UHFFFAOYSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
CID 172648437
1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidine
CID 172648439
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
CID 143344817
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]-5-ethanimidoyl-2-fluorobenzoic acid
CID 129177753
4-(azetidin-1-yl)-6-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 134410752
1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891292
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246
2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine
CID 175576430
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 120834544

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine (CID 130192199) is 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine is CC1CCN(Cc2cc(Cl)cc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine?
The InChIKey is PFQOBEZTJCDLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO/c1-10-2-4-19(5-3-10)9-11-6-12(15)8-13(7-11)20-14(16,17)18/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine?
1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine has a molecular weight of 307.74 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine is sourced from PubChem (CID 130192199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).