[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate

C19H19ClFNO2 — CID 18919757

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate
SMILESO=C(OC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19ClFNO2/c20-16-5-1-14(2-6-16)13-22-11-9-18(10-12-22)24-19(23)15-3-7-17(21)8-4-15/h1-8,18H,9-13H2
InChIKeyHYELEEXGBASQKY-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.30
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate

[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate (PubChem CID 18919757) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate
PubChem CID18919757
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate
SMILESO=C(OC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19ClFNO2/c20-16-5-1-14(2-6-16)13-22-11-9-18(10-12-22)24-19(23)15-3-7-17(21)8-4-15/h1-8,18H,9-13H2
InChIKeyHYELEEXGBASQKY-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919932
[1-[(4-bromophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919904
[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919781
cyclopropyl 4-fluorobenzoate
CID 126986458
3-fluoro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxybenzamide
CID 143718334
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
cyclopropyl 4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzoate
CID 152712132
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 42858157
2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 25057052
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate (CID 18919757) is [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate is O=C(OC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate?
The InChIKey is HYELEEXGBASQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-16-5-1-14(2-6-16)13-22-11-9-18(10-12-22)24-19(23)15-3-7-17(21)8-4-15/h1-8,18H,9-13H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate?
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate has a molecular weight of 347.82 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate is sourced from PubChem (CID 18919757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).