tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate

C19H27F3N2O2 — CID 155905882

IUPACtert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(Cc2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C19H27F3N2O2/c1-17(2,3)26-16(25)24(4)18(8-10-23-11-9-18)13-14-6-5-7-15(12-14)19(20,21)22/h5-7,12,23H,8-11,13H2,1-4H3
InChIKeyBFQDZXSSXCNYHS-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate

tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate (PubChem CID 155905882) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
PubChem CID155905882
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Nametert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(Cc2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C19H27F3N2O2/c1-17(2,3)26-16(25)24(4)18(8-10-23-11-9-18)13-14-6-5-7-15(12-14)19(20,21)22/h5-7,12,23H,8-11,13H2,1-4H3
InChIKeyBFQDZXSSXCNYHS-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(aminomethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate
CID 86277729
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
tert-butyl 3-[3-(trifluoromethyl)phenyl]propanoate
CID 157381278
tert-butyl 3-hydroxy-3-[[3-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171963980
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 119386828
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 99937074
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 106982175
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino]acetic acid
CID 69067890
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
tert-butyl N-[2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopropyl]carbamate
CID 107238059

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate (CID 155905882) is tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate is CN(C(=O)OC(C)(C)C)C1(Cc2cccc(C(F)(F)F)c2)CCNCC1.
What is the InChIKey of tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate?
The InChIKey is BFQDZXSSXCNYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-17(2,3)26-16(25)24(4)18(8-10-23-11-9-18)13-14-6-5-7-15(12-14)19(20,21)22/h5-7,12,23H,8-11,13H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate has a molecular weight of 372.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 155905882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).