fluoro 3-(4-methylpiperidin-1-yl)propanoate

C9H16FNO2 — CID 142440797

IUPACfluoro 3-(4-methylpiperidin-1-yl)propanoate
SMILESCC1CCN(CCC(=O)OF)CC1
InChIInChI=1S/C9H16FNO2/c1-8-2-5-11(6-3-8)7-4-9(12)13-10/h8H,2-7H2,1H3
InChIKeyHTUZYOAHUDRILU-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.54
Rot. Bonds3

About fluoro 3-(4-methylpiperidin-1-yl)propanoate

fluoro 3-(4-methylpiperidin-1-yl)propanoate (PubChem CID 142440797) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is fluoro 3-(4-methylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namefluoro 3-(4-methylpiperidin-1-yl)propanoate
PubChem CID142440797
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namefluoro 3-(4-methylpiperidin-1-yl)propanoate
SMILESCC1CCN(CCC(=O)OF)CC1
InChIInChI=1S/C9H16FNO2/c1-8-2-5-11(6-3-8)7-4-9(12)13-10/h8H,2-7H2,1H3
InChIKeyHTUZYOAHUDRILU-UHFFFAOYSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate
CID 66337111
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012920
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
methyl 3-(4-acetamidopiperidin-1-yl)propanoate
CID 49438939
methyl 3-(4-cyanopiperidin-1-yl)propanoate
CID 62077331
2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
CID 163629544
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
1-(2-fluoroethyl)-4-methylpiperidine;propane
CID 177031790

Frequently Asked Questions

What is the IUPAC name of fluoro 3-(4-methylpiperidin-1-yl)propanoate?
The IUPAC name of fluoro 3-(4-methylpiperidin-1-yl)propanoate (CID 142440797) is fluoro 3-(4-methylpiperidin-1-yl)propanoate.
What is the SMILES notation for fluoro 3-(4-methylpiperidin-1-yl)propanoate?
The canonical SMILES for fluoro 3-(4-methylpiperidin-1-yl)propanoate is CC1CCN(CCC(=O)OF)CC1.
What is the InChIKey of fluoro 3-(4-methylpiperidin-1-yl)propanoate?
The InChIKey is HTUZYOAHUDRILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-8-2-5-11(6-3-8)7-4-9(12)13-10/h8H,2-7H2,1H3.
What are the key properties of fluoro 3-(4-methylpiperidin-1-yl)propanoate?
fluoro 3-(4-methylpiperidin-1-yl)propanoate has a molecular weight of 189.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-(4-methylpiperidin-1-yl)propanoate is sourced from PubChem (CID 142440797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).