tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate

C18H25F3N2O2 — CID 66853254

IUPACtert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,3)25-16(24)22-12-13-8-10-23(11-9-13)15-6-4-14(5-7-15)18(19,20)21/h4-7,13H,8-12H2,1-3H3,(H,22,24)
InChIKeyIWCJJKUEPDQYTQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.45
Rot. Bonds3

About tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate (PubChem CID 66853254) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate
PubChem CID66853254
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Nametert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,3)25-16(24)22-12-13-8-10-23(11-9-13)15-6-4-14(5-7-15)18(19,20)21/h4-7,13H,8-12H2,1-3H3,(H,22,24)
InChIKeyIWCJJKUEPDQYTQ-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate (CID 66853254) is tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is IWCJJKUEPDQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-17(2,3)25-16(24)22-12-13-8-10-23(11-9-13)15-6-4-14(5-7-15)18(19,20)21/h4-7,13H,8-12H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 358.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 66853254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).