ethane;fluoro 1-ethylpiperidine-4-carboxylate

C12H26FNO2 — CID 142818246

IUPACethane;fluoro 1-ethylpiperidine-4-carboxylate
SMILESCC.CC.CCN1CCC(C(=O)OF)CC1
InChIInChI=1S/C8H14FNO2.2C2H6/c1-2-10-5-3-7(4-6-10)8(11)12-9;2*1-2/h7H,2-6H2,1H3;2*1-2H3
InChIKeyBTRQIDBMAFZRIW-UHFFFAOYSA-N
MW235.34 g/mol
LogP3.20
Rot. Bonds2

About ethane;fluoro 1-ethylpiperidine-4-carboxylate

ethane;fluoro 1-ethylpiperidine-4-carboxylate (PubChem CID 142818246) has the molecular formula C12H26FNO2 and a molecular weight of 235.34 g/mol. Its IUPAC name is ethane;fluoro 1-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethane;fluoro 1-ethylpiperidine-4-carboxylate
PubChem CID142818246
Molecular FormulaC12H26FNO2
Molecular Weight235.34 g/mol
Exact Mass235.19
IUPAC Nameethane;fluoro 1-ethylpiperidine-4-carboxylate
SMILESCC.CC.CCN1CCC(C(=O)OF)CC1
InChIInChI=1S/C8H14FNO2.2C2H6/c1-2-10-5-3-7(4-6-10)8(11)12-9;2*1-2/h7H,2-6H2,1H3;2*1-2H3
InChIKeyBTRQIDBMAFZRIW-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
4-Piperidinebutyric acid, methyl ester
CID 3047641
1-Methylpiperidine-4-carboxylic acid
CID 2736939
[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)
CID 2760043
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
Ethyl 1-methylpiperidine-4-carboxylate hydrochloride
CID 52991957
1-(2-Fluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 165997509

Frequently Asked Questions

What is the IUPAC name of ethane;fluoro 1-ethylpiperidine-4-carboxylate?
The IUPAC name of ethane;fluoro 1-ethylpiperidine-4-carboxylate (CID 142818246) is ethane;fluoro 1-ethylpiperidine-4-carboxylate.
What is the SMILES notation for ethane;fluoro 1-ethylpiperidine-4-carboxylate?
The canonical SMILES for ethane;fluoro 1-ethylpiperidine-4-carboxylate is CC.CC.CCN1CCC(C(=O)OF)CC1.
What is the InChIKey of ethane;fluoro 1-ethylpiperidine-4-carboxylate?
The InChIKey is BTRQIDBMAFZRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2.2C2H6/c1-2-10-5-3-7(4-6-10)8(11)12-9;2*1-2/h7H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;fluoro 1-ethylpiperidine-4-carboxylate?
ethane;fluoro 1-ethylpiperidine-4-carboxylate has a molecular weight of 235.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoro 1-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 142818246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).