2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid

C14H18FNO2 — CID 69367241

IUPAC2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)9-11-5-7-16(8-6-11)10-14(17)18/h1-4,11H,5-10H2,(H,17,18)
InChIKeyOULRCZISNQMSOP-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.16
Rot. Bonds4

About 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid

2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid (PubChem CID 69367241) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid
PubChem CID69367241
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)9-11-5-7-16(8-6-11)10-14(17)18/h1-4,11H,5-10H2,(H,17,18)
InChIKeyOULRCZISNQMSOP-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxo-2-(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)acetic acid
CID 117607537
2-(4-Phenylpiperidin-1-yl)acetic acid
CID 1089052
(4-Benzylpiperidin-1-yl)oxoacetic acid
CID 16110264
Acetic acid 2-(4-phenyl-piperidin-1-yl)-ethyl ester
CID 15925891
(4-Benzyl-piperazin-1-yl)-acetic acid
CID 1402890
Ethyl 2-(4-phenylpiperidin-1-yl)acetate
CID 3829780
2-(3-Phenylpyrrolidin-1-yl)acetic acid
CID 45791016
2-Spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid
CID 68895680
Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, methyl ester
CID 6444854
2-[4-[2-[2-(Trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid
CID 75371976
2-[2-[Bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid
CID 118730364
2-[Carboxymethyl(3-phenylpropyl)amino]acetic acid
CID 747006

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid (CID 69367241) is 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(Cc2ccccc2F)CC1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
The InChIKey is OULRCZISNQMSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)9-11-5-7-16(8-6-11)10-14(17)18/h1-4,11H,5-10H2,(H,17,18).
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid has a molecular weight of 251.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 69367241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).