piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate

C14H17F3N2O2 — CID 79344499

IUPACpiperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)OCC1CCCNC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-3-5-12(6-4-11)19-13(20)21-9-10-2-1-7-18-8-10/h3-6,10,18H,1-2,7-9H2,(H,19,20)
InChIKeyKFUSQOKSFJHAQH-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.25
Rot. Bonds3

About piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate

piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate (PubChem CID 79344499) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namepiperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
PubChem CID79344499
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Namepiperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)OCC1CCCNC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-3-5-12(6-4-11)19-13(20)21-9-10-2-1-7-18-8-10/h3-6,10,18H,1-2,7-9H2,(H,19,20)
InChIKeyKFUSQOKSFJHAQH-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79338363
pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 79338245
2-bromoethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 103970519
2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline
CID 117095791
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
N-(4-chlorophenyl)-2-(piperidin-3-ylmethoxy)acetamide
CID 62341062
piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565230

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate (CID 79344499) is piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccc(C(F)(F)F)cc1)OCC1CCCNC1.
What is the InChIKey of piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is KFUSQOKSFJHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-3-5-12(6-4-11)19-13(20)21-9-10-2-1-7-18-8-10/h3-6,10,18H,1-2,7-9H2,(H,19,20).
What are the key properties of piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate?
piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 302.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 79344499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).