(2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate

C13H17FN2O2 — CID 22220104

IUPAC(2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate
SMILESCC1CNCCN1C(=O)OCc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-10-8-15-6-7-16(10)13(17)18-9-11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyYFHGSVRDBUUNMW-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.76
Rot. Bonds2

About (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate

(2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate (PubChem CID 22220104) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate
PubChem CID22220104
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate
SMILESCC1CNCCN1C(=O)OCc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-10-8-15-6-7-16(10)13(17)18-9-11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyYFHGSVRDBUUNMW-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.76
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
(1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl ester
CID 10198752
(S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylcarbamate
CID 11679149
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
4-Cbz-aminopiperidine
CID 1514304
benzyl N-(2-methylpropyl)carbamate
CID 14568365
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 4-[2-(prop-2-enoylamino)acetyl]piperazine-1-carboxylate (3a)
CID 73774924

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate (CID 22220104) is (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate is CC1CNCCN1C(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate?
The InChIKey is YFHGSVRDBUUNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-10-8-15-6-7-16(10)13(17)18-9-11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate?
(2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 22220104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).