1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

C21H29N — CID 59433508

IUPAC1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESc1ccc2c(c1)CCCC21CCN(C2C[C@@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C21H29N/c1-2-6-19-17(4-1)5-3-9-21(19)10-12-22(13-11-21)20-15-16-7-8-18(20)14-16/h1-2,4,6,16,18,20H,3,5,7-15H2/t16-,18+,20?/m1/s1
InChIKeyUXOCXDUYNWMLKT-MARPTJLWSA-N
MW295.47 g/mol
LogP4.55
Rot. Bonds1

About 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (PubChem CID 59433508) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
PubChem CID59433508
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESc1ccc2c(c1)CCCC21CCN(C2C[C@@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C21H29N/c1-2-6-19-17(4-1)5-3-9-21(19)10-12-22(13-11-21)20-15-16-7-8-18(20)14-16/h1-2,4,6,16,18,20H,3,5,7-15H2/t16-,18+,20?/m1/s1
InChIKeyUXOCXDUYNWMLKT-MARPTJLWSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (CID 59433508) is 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is c1ccc2c(c1)CCCC21CCN(C2C[C@@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The InChIKey is UXOCXDUYNWMLKT-MARPTJLWSA-N. The full InChI is InChI=1S/C21H29N/c1-2-6-19-17(4-1)5-3-9-21(19)10-12-22(13-11-21)20-15-16-7-8-18(20)14-16/h1-2,4,6,16,18,20H,3,5,7-15H2/t16-,18+,20?/m1/s1.
What are the key properties of 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] has a molecular weight of 295.47 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 59433508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).