1'-benzylspiro[1H-naphthalene-4,4'-piperidine]

C21H23N — CID 22012211

IUPAC1'-benzylspiro[1H-naphthalene-4,4'-piperidine]
SMILESC1=CC2(CCN(Cc3ccccc3)CC2)c2ccccc2C1
InChIInChI=1S/C21H23N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h1-9,11-12H,10,13-17H2
InChIKeyRORQUKGUCNRPOX-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.33
Rot. Bonds2

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

1'-benzylspiro[1H-naphthalene-4,4'-piperidine] (PubChem CID 22012211) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 1'-benzylspiro[1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[1H-naphthalene-4,4'-piperidine]
PubChem CID22012211
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name1'-benzylspiro[1H-naphthalene-4,4'-piperidine]
SMILESC1=CC2(CCN(Cc3ccccc3)CC2)c2ccccc2C1
InChIInChI=1S/C21H23N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h1-9,11-12H,10,13-17H2
InChIKeyRORQUKGUCNRPOX-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 12706476
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1-oxide
CID 10782325
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine
CID 82666438
1-benzylazepane
CID 10954328
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[1H-naphthalene-4,4'-piperidine] (CID 22012211) is 1'-benzylspiro[1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[1H-naphthalene-4,4'-piperidine] is C1=CC2(CCN(Cc3ccccc3)CC2)c2ccccc2C1.
What is the InChIKey of 1'-benzylspiro[1H-naphthalene-4,4'-piperidine]?
The InChIKey is RORQUKGUCNRPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h1-9,11-12H,10,13-17H2.
What are the key properties of 1'-benzylspiro[1H-naphthalene-4,4'-piperidine]?
1'-benzylspiro[1H-naphthalene-4,4'-piperidine] has a molecular weight of 289.42 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 22012211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).