2-piperidin-1-ylethyl 4-fluorobenzoate

C14H18FNO2 — CID 755786

IUPAC2-piperidin-1-ylethyl 4-fluorobenzoate
SMILESO=C(OCCN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-13-6-4-12(5-7-13)14(17)18-11-10-16-8-2-1-3-9-16/h4-7H,1-3,8-11H2
InChIKeyAMNCCNDOHLBJLC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.47
Rot. Bonds4

About 2-piperidin-1-ylethyl 4-fluorobenzoate

2-piperidin-1-ylethyl 4-fluorobenzoate (PubChem CID 755786) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 4-fluorobenzoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 4-fluorobenzoate
PubChem CID755786
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-piperidin-1-ylethyl 4-fluorobenzoate
SMILESO=C(OCCN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-13-6-4-12(5-7-13)14(17)18-11-10-16-8-2-1-3-9-16/h4-7H,1-3,8-11H2
InChIKeyAMNCCNDOHLBJLC-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[3-(4-fluorobenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 4-fluorobenzoate
CID 50896865
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
CID 58027720
2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate
CID 2294860
2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
CID 3518904
2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl 4-fluorobenzoate
CID 16645445
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride
CID 2836409
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
CID 23540946

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 4-fluorobenzoate?
The IUPAC name of 2-piperidin-1-ylethyl 4-fluorobenzoate (CID 755786) is 2-piperidin-1-ylethyl 4-fluorobenzoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 4-fluorobenzoate?
The canonical SMILES for 2-piperidin-1-ylethyl 4-fluorobenzoate is O=C(OCCN1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-piperidin-1-ylethyl 4-fluorobenzoate?
The InChIKey is AMNCCNDOHLBJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-6-4-12(5-7-13)14(17)18-11-10-16-8-2-1-3-9-16/h4-7H,1-3,8-11H2.
What are the key properties of 2-piperidin-1-ylethyl 4-fluorobenzoate?
2-piperidin-1-ylethyl 4-fluorobenzoate has a molecular weight of 251.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 4-fluorobenzoate is sourced from PubChem (CID 755786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).