benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid

C16H21F3N2O4 — CID 118077491

IUPACbenzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)OCc1ccccc1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N2O2.C2HF3O2/c1-16(13-7-9-15-10-8-13)14(17)18-11-12-5-3-2-4-6-12;3-2(4,5)1(6)7/h2-6,13,15H,7-11H2,1H3;(H,6,7)
InChIKeyLQUSOBZPFOCHMN-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.64
Rot. Bonds3

About benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid

benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid (PubChem CID 118077491) has the molecular formula C16H21F3N2O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namebenzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
PubChem CID118077491
Molecular FormulaC16H21F3N2O4
Molecular Weight362.35 g/mol
Exact Mass362.15
IUPAC Namebenzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)OCc1ccccc1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N2O2.C2HF3O2/c1-16(13-7-9-15-10-8-13)14(17)18-11-12-5-3-2-4-6-12;3-2(4,5)1(6)7/h2-6,13,15H,7-11H2,1H3;(H,6,7)
InChIKeyLQUSOBZPFOCHMN-UHFFFAOYSA-N
XLogP2.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
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benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
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benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
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benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid (CID 118077491) is benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid is CN(C(=O)OCc1ccccc1)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid?
The InChIKey is LQUSOBZPFOCHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C2HF3O2/c1-16(13-7-9-15-10-8-13)14(17)18-11-12-5-3-2-4-6-12;3-2(4,5)1(6)7/h2-6,13,15H,7-11H2,1H3;(H,6,7).
What are the key properties of benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid?
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid has a molecular weight of 362.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118077491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).