[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate

C15H21FN2O3 — CID 69463727

IUPAC[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate
SMILESCc1cc(F)ccc1N1CCC(OC(=O)NCCO)CC1
InChIInChI=1S/C15H21FN2O3/c1-11-10-12(16)2-3-14(11)18-7-4-13(5-8-18)21-15(20)17-6-9-19/h2-3,10,13,19H,4-9H2,1H3,(H,17,20)
InChIKeyIDPKJNTZBDZNMJ-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.82
Rot. Bonds4

About [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate

[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate (PubChem CID 69463727) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate
PubChem CID69463727
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate
SMILESCc1cc(F)ccc1N1CCC(OC(=O)NCCO)CC1
InChIInChI=1S/C15H21FN2O3/c1-11-10-12(16)2-3-14(11)18-7-4-13(5-8-18)21-15(20)17-6-9-19/h2-3,10,13,19H,4-9H2,1H3,(H,17,20)
InChIKeyIDPKJNTZBDZNMJ-UHFFFAOYSA-N
XLogP1.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate?
The IUPAC name of [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate (CID 69463727) is [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate?
The canonical SMILES for [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate is Cc1cc(F)ccc1N1CCC(OC(=O)NCCO)CC1.
What is the InChIKey of [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate?
The InChIKey is IDPKJNTZBDZNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11-10-12(16)2-3-14(11)18-7-4-13(5-8-18)21-15(20)17-6-9-19/h2-3,10,13,19H,4-9H2,1H3,(H,17,20).
What are the key properties of [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate?
[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate has a molecular weight of 296.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 69463727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).