[3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid

C19H21FN2O3 — CID 166793978

IUPAC[3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid
SMILESO=C(O)NCc1cccc(OC2CNCC(c3ccccc3F)C2)c1
InChIInChI=1S/C19H21FN2O3/c20-18-7-2-1-6-17(18)14-9-16(12-21-11-14)25-15-5-3-4-13(8-15)10-22-19(23)24/h1-8,14,16,21-22H,9-12H2,(H,23,24)
InChIKeyQSOYTXWDKZXNFA-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.12
Rot. Bonds5

About [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid

[3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid (PubChem CID 166793978) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid
PubChem CID166793978
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name[3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid
SMILESO=C(O)NCc1cccc(OC2CNCC(c3ccccc3F)C2)c1
InChIInChI=1S/C19H21FN2O3/c20-18-7-2-1-6-17(18)14-9-16(12-21-11-14)25-15-5-3-4-13(8-15)10-22-19(23)24/h1-8,14,16,21-22H,9-12H2,(H,23,24)
InChIKeyQSOYTXWDKZXNFA-UHFFFAOYSA-N
XLogP3.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate
CID 96581577
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[3-[(3S,5S)-5-(2-fluorophenyl)-1-methylsulfonylpiperidin-3-yl]oxyphenyl]methanamine
CID 168861415
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CID 164861061
N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride
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N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 39454348
N-[3-(azetidin-3-yloxy)phenyl]acetamide
CID 53410782
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid?
The IUPAC name of [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid (CID 166793978) is [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid.
What is the SMILES notation for [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid?
The canonical SMILES for [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid is O=C(O)NCc1cccc(OC2CNCC(c3ccccc3F)C2)c1.
What is the InChIKey of [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid?
The InChIKey is QSOYTXWDKZXNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-18-7-2-1-6-17(18)14-9-16(12-21-11-14)25-15-5-3-4-13(8-15)10-22-19(23)24/h1-8,14,16,21-22H,9-12H2,(H,23,24).
What are the key properties of [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid?
[3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid has a molecular weight of 344.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid is sourced from PubChem (CID 166793978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).