[1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate

C17H22F2N2O3 — CID 24856421

IUPAC[1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate
SMILESO=C(OC1CCCN(c2ccc(F)cc2F)C1)N1CCC(O)CC1
InChIInChI=1S/C17H22F2N2O3/c18-12-3-4-16(15(19)10-12)21-7-1-2-14(11-21)24-17(23)20-8-5-13(22)6-9-20/h3-4,10,13-14,22H,1-2,5-9,11H2
InChIKeyMLSNLTABBQUZHO-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.53
Rot. Bonds2

About [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate

[1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate (PubChem CID 24856421) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate
PubChem CID24856421
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name[1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate
SMILESO=C(OC1CCCN(c2ccc(F)cc2F)C1)N1CCC(O)CC1
InChIInChI=1S/C17H22F2N2O3/c18-12-3-4-16(15(19)10-12)21-7-1-2-14(11-21)24-17(23)20-8-5-13(22)6-9-20/h3-4,10,13-14,22H,1-2,5-9,11H2
InChIKeyMLSNLTABBQUZHO-UHFFFAOYSA-N
XLogP2.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate (CID 24856421) is [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate is O=C(OC1CCCN(c2ccc(F)cc2F)C1)N1CCC(O)CC1.
What is the InChIKey of [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate?
The InChIKey is MLSNLTABBQUZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c18-12-3-4-16(15(19)10-12)21-7-1-2-14(11-21)24-17(23)20-8-5-13(22)6-9-20/h3-4,10,13-14,22H,1-2,5-9,11H2.
What are the key properties of [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate?
[1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate has a molecular weight of 340.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 24856421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).