tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate

C19H27F3N2O2 — CID 23081307

IUPACtert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C19H27F3N2O2/c1-18(2,3)26-17(25)24(16-8-11-23-12-9-16)13-10-14-4-6-15(7-5-14)19(20,21)22/h4-7,16,23H,8-13H2,1-3H3
InChIKeyGQGJKIOEQNHXMZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate

tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate (PubChem CID 23081307) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate
PubChem CID23081307
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Nametert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C19H27F3N2O2/c1-18(2,3)26-17(25)24(16-8-11-23-12-9-16)13-10-14-4-6-15(7-5-14)19(20,21)22/h4-7,16,23H,8-13H2,1-3H3
InChIKeyGQGJKIOEQNHXMZ-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]heptyl]carbamate
CID 53316899
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
CID 53326110
Tert-butyl 4-(aminomethyl)-4-(3-fluorophenyl)piperidine-1-carboxylate
CID 23601101
tert-Butyl 4-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 49760833
Tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 59321362
tert-Butyl 4-(aminomethyl)-4-(4-fluorobenzyl)piperidine-1-carboxylate
CID 69121570

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate (CID 23081307) is tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)N(CCc1ccc(C(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate?
The InChIKey is GQGJKIOEQNHXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-18(2,3)26-17(25)24(16-8-11-23-12-9-16)13-10-14-4-6-15(7-5-14)19(20,21)22/h4-7,16,23H,8-13H2,1-3H3.
What are the key properties of tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate?
tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate has a molecular weight of 372.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 23081307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).