1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]

C21H25N — CID 45487178

IUPAC1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C21H25N/c1-2-6-18(7-3-1)17-22-14-12-21(13-15-22)11-10-19-8-4-5-9-20(19)16-21/h1-9H,10-17H2
InChIKeyBWLYRCBLFWFPHN-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.46
Rot. Bonds2

About 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]

1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] (PubChem CID 45487178) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
PubChem CID45487178
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C21H25N/c1-2-6-18(7-3-1)17-22-14-12-21(13-15-22)11-10-19-8-4-5-9-20(19)16-21/h1-9H,10-17H2
InChIKeyBWLYRCBLFWFPHN-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] (CID 45487178) is 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] is c1ccc(CN2CCC3(CCc4ccccc4C3)CC2)cc1.
What is the InChIKey of 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
The InChIKey is BWLYRCBLFWFPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-2-6-18(7-3-1)17-22-14-12-21(13-15-22)11-10-19-8-4-5-9-20(19)16-21/h1-9H,10-17H2.
What are the key properties of 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] has a molecular weight of 291.44 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] is sourced from PubChem (CID 45487178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).