benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate

C15H21FN2O2 — CID 84811884

IUPACbenzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate
SMILESCC1(CF)CCN(C(=O)OCc2ccccc2)CC1N
InChIInChI=1S/C15H21FN2O2/c1-15(11-16)7-8-18(9-13(15)17)14(19)20-10-12-5-3-2-4-6-12/h2-6,13H,7-11,17H2,1H3
InChIKeyZUQKHVGFWVNIOQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.33
Rot. Bonds3

About benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate

benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate (PubChem CID 84811884) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate
PubChem CID84811884
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Namebenzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate
SMILESCC1(CF)CCN(C(=O)OCc2ccccc2)CC1N
InChIInChI=1S/C15H21FN2O2/c1-15(11-16)7-8-18(9-13(15)17)14(19)20-10-12-5-3-2-4-6-12/h2-6,13H,7-11,17H2,1H3
InChIKeyZUQKHVGFWVNIOQ-UHFFFAOYSA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl piperazine-1-carboxylate
CID 643495
Benzyl 3-oxopiperazine-1-carboxylate
CID 736777
(S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylcarbamate
CID 11679149
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
4-Cbz-aminopiperidine
CID 1514304
Benzyl 1,4-diazepane-1-carboxylate
CID 4384955
Benzyl 4-aminobutyl(3-aminopropyl)carbamate
CID 389610
Benzyl 4-[(2-cyclohexylidene-2-fluoroethyl)amino]-1-piperidinecarboxylate
CID 23646099
benzyl N-[(2S)-1-(cyanomethylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate
CID 11623853
benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate
CID 46877990
Benzyl 1-[(cyclohexylamino)carbonyl]-2-methylpropylcarbamate
CID 4176929
Benzyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 45270919

Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate (CID 84811884) is benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate is CC1(CF)CCN(C(=O)OCc2ccccc2)CC1N.
What is the InChIKey of benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate?
The InChIKey is ZUQKHVGFWVNIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(11-16)7-8-18(9-13(15)17)14(19)20-10-12-5-3-2-4-6-12/h2-6,13H,7-11,17H2,1H3.
What are the key properties of benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate?
benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate has a molecular weight of 280.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-4-(fluoromethyl)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 84811884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).