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

C18H25F3N2O2 — CID 174605305

IUPAC[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,3)22-16(24)25-12-13-8-10-23(11-9-13)15-6-4-14(5-7-15)18(19,20)21/h4-7,13H,8-12H2,1-3H3,(H,22,24)
InChIKeyXBYKWAMGSXJBMQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.45
Rot. Bonds3

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

[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate (PubChem CID 174605305) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate
PubChem CID174605305
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,3)22-16(24)25-12-13-8-10-23(11-9-13)15-6-4-14(5-7-15)18(19,20)21/h4-7,13H,8-12H2,1-3H3,(H,22,24)
InChIKeyXBYKWAMGSXJBMQ-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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Related Compounds

ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
CID 142379007
[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate
CID 154673240
(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
CID 142766919
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 25259629
4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol
CID 70873700
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
4-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]aniline
CID 156774748
N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine
CID 63854243
[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174550196

Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate (CID 174605305) is [1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate?
The InChIKey is XBYKWAMGSXJBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-17(2,3)22-16(24)25-12-13-8-10-23(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 [1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate?
[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate 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 [1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 174605305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).