(4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate

C14H17F3N2O2 — CID 102954781

IUPAC(4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCC1CCNCC1OC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-9-5-6-18-8-12(9)21-13(20)19-11-4-2-3-10(7-11)14(15,16)17/h2-4,7,9,12,18H,5-6,8H2,1H3,(H,19,20)
InChIKeyNXPRRYSLOXRROM-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.25
Rot. Bonds2

About (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate

(4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 102954781) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID102954781
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCC1CCNCC1OC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-9-5-6-18-8-12(9)21-13(20)19-11-4-2-3-10(7-11)14(15,16)17/h2-4,7,9,12,18H,5-6,8H2,1H3,(H,19,20)
InChIKeyNXPRRYSLOXRROM-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

pyrrolidin-3-yl N-[3-(trifluoromethyl)phenyl]carbamate
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1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate
CID 11884323
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
[(3S,3aR,6R,6aS)-3-[(2-methoxyacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate
CID 11883391
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 54389521
[(2R,4S,4aS,8aR)-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl] N-[3-(trifluoromethyl)phenyl]carbamate
CID 7102046
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate (CID 102954781) is (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate is CC1CCNCC1OC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is NXPRRYSLOXRROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-5-6-18-8-12(9)21-13(20)19-11-4-2-3-10(7-11)14(15,16)17/h2-4,7,9,12,18H,5-6,8H2,1H3,(H,19,20).
What are the key properties of (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate?
(4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 302.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 102954781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).