2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid

C15H21FN2O3 — CID 68715376

IUPAC2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
SMILESO=C(O)NCCOC(c1cccc(F)c1)[C@@H]1CCCNC1
InChIInChI=1S/C15H21FN2O3/c16-13-5-1-3-11(9-13)14(12-4-2-6-17-10-12)21-8-7-18-15(19)20/h1,3,5,9,12,14,17-18H,2,4,6-8,10H2,(H,19,20)/t12-,14?/m1/s1
InChIKeyVBWTZWAIQUMZQO-PUODRLBUSA-N
MW296.34 g/mol
LogP2.15
Rot. Bonds6

About 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid

2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid (PubChem CID 68715376) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
PubChem CID68715376
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
SMILESO=C(O)NCCOC(c1cccc(F)c1)[C@@H]1CCCNC1
InChIInChI=1S/C15H21FN2O3/c16-13-5-1-3-11(9-13)14(12-4-2-6-17-10-12)21-8-7-18-15(19)20/h1,3,5,9,12,14,17-18H,2,4,6-8,10H2,(H,19,20)/t12-,14?/m1/s1
InChIKeyVBWTZWAIQUMZQO-PUODRLBUSA-N
XLogP2.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid?
The IUPAC name of 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid (CID 68715376) is 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid?
The canonical SMILES for 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid is O=C(O)NCCOC(c1cccc(F)c1)[C@@H]1CCCNC1.
What is the InChIKey of 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid?
The InChIKey is VBWTZWAIQUMZQO-PUODRLBUSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-13-5-1-3-11(9-13)14(12-4-2-6-17-10-12)21-8-7-18-15(19)20/h1,3,5,9,12,14,17-18H,2,4,6-8,10H2,(H,19,20)/t12-,14?/m1/s1.
What are the key properties of 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid?
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid has a molecular weight of 296.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid is sourced from PubChem (CID 68715376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).