[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate

C13H14ClF3N2O2 — CID 175145028

IUPAC[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
SMILESNC(=O)OC1CCCN(c2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C13H14ClF3N2O2/c14-10-6-8(13(15,16)17)3-4-11(10)19-5-1-2-9(7-19)21-12(18)20/h3-4,6,9H,1-2,5,7H2,(H2,18,20)
InChIKeyUWIFPLYQTUCKEF-UHFFFAOYSA-N
MW322.71 g/mol
LogP3.42
Rot. Bonds2

About [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate

[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate (PubChem CID 175145028) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
PubChem CID175145028
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC Name[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
SMILESNC(=O)OC1CCCN(c2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C13H14ClF3N2O2/c14-10-6-8(13(15,16)17)3-4-11(10)19-5-1-2-9(7-19)21-12(18)20/h3-4,6,9H,1-2,5,7H2,(H2,18,20)
InChIKeyUWIFPLYQTUCKEF-UHFFFAOYSA-N
XLogP3.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[2-chloro-4-(trifluoromethoxy)phenyl]piperidin-3-yl] carbamate
CID 175147504
[1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl] carbamate
CID 175140042
2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79923127
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142260
2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 102955751
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
CID 90281047
tert-butyl N-[1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 175141152
[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142659
1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide
CID 90840814
[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate
CID 146303389
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-4-one
CID 63668791

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate?
The IUPAC name of [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate (CID 175145028) is [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate?
The canonical SMILES for [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate is NC(=O)OC1CCCN(c2ccc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate?
The InChIKey is UWIFPLYQTUCKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c14-10-6-8(13(15,16)17)3-4-11(10)19-5-1-2-9(7-19)21-12(18)20/h3-4,6,9H,1-2,5,7H2,(H2,18,20).
What are the key properties of [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate?
[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate has a molecular weight of 322.71 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 175145028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).