ethyl 4-fluoro-1-methylpiperidine-4-carboxylate

C9H16FNO2 — CID 70641647

IUPACethyl 4-fluoro-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(C)CC1
InChIInChI=1S/C9H16FNO2/c1-3-13-8(12)9(10)4-6-11(2)7-5-9/h3-7H2,1-2H3
InChIKeyMPJTUCBKTAAKQZ-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.98
Rot. Bonds2

About ethyl 4-fluoro-1-methylpiperidine-4-carboxylate

ethyl 4-fluoro-1-methylpiperidine-4-carboxylate (PubChem CID 70641647) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is ethyl 4-fluoro-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-1-methylpiperidine-4-carboxylate
PubChem CID70641647
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Nameethyl 4-fluoro-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(C)CC1
InChIInChI=1S/C9H16FNO2/c1-3-13-8(12)9(10)4-6-11(2)7-5-9/h3-7H2,1-2H3
InChIKeyMPJTUCBKTAAKQZ-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.98
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
N-[18F]Fluoroethylpiperidin-4ylmethyl acetate
CID 46172914
[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
[1-(2-Fluoroethyl)piperidin-4-yl]methyl acetate
CID 11820197
Ethyl 4-(piperidin-1-yl)butanoate
CID 14044356
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Piperidinium, 1,1-dimethyl-4-(hydroxymethyl)-, iodide, acetate
CID 3038581
Ethyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate
CID 20754609

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-1-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-fluoro-1-methylpiperidine-4-carboxylate (CID 70641647) is ethyl 4-fluoro-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-1-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-fluoro-1-methylpiperidine-4-carboxylate is CCOC(=O)C1(F)CCN(C)CC1.
What is the InChIKey of ethyl 4-fluoro-1-methylpiperidine-4-carboxylate?
The InChIKey is MPJTUCBKTAAKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-3-13-8(12)9(10)4-6-11(2)7-5-9/h3-7H2,1-2H3.
What are the key properties of ethyl 4-fluoro-1-methylpiperidine-4-carboxylate?
ethyl 4-fluoro-1-methylpiperidine-4-carboxylate has a molecular weight of 189.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 70641647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).