(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol

C26H33FN2O — CID 10364121

IUPAC(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol
SMILESO[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCCc3ccccc32)CC1
InChIInChI=1S/C26H33FN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1
InChIKeyRFCNHGNHAMPZOO-JWQCQUIFSA-N
MW408.56 g/mol
LogP4.13
Rot. Bonds3

About (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol

(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol (PubChem CID 10364121) has the molecular formula C26H33FN2O and a molecular weight of 408.56 g/mol. Its IUPAC name is (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol
PubChem CID10364121
Molecular FormulaC26H33FN2O
Molecular Weight408.56 g/mol
Exact Mass408.26
IUPAC Name(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol
SMILESO[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCCc3ccccc32)CC1
InChIInChI=1S/C26H33FN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1
InChIKeyRFCNHGNHAMPZOO-JWQCQUIFSA-N
XLogP4.13
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol (CID 10364121) is (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol is O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCCc3ccccc32)CC1.
What is the InChIKey of (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol?
The InChIKey is RFCNHGNHAMPZOO-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H33FN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1.
What are the key properties of (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol?
(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol has a molecular weight of 408.56 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol is sourced from PubChem (CID 10364121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).