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

C18H27N — CID 15163141

IUPAC1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCCCCN1CCC2(CCCc3ccccc32)CC1
InChIInChI=1S/C18H27N/c1-2-3-13-19-14-11-18(12-15-19)10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9H,2-3,6,8,10-15H2,1H3
InChIKeyGWZNBTHONPZRPP-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.16
Rot. Bonds3

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

1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (PubChem CID 15163141) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
PubChem CID15163141
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCCCCN1CCC2(CCCc3ccccc32)CC1
InChIInChI=1S/C18H27N/c1-2-3-13-19-14-11-18(12-15-19)10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9H,2-3,6,8,10-15H2,1H3
InChIKeyGWZNBTHONPZRPP-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (CID 15163141) is 1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is CCCCN1CCC2(CCCc3ccccc32)CC1.
What is the InChIKey of 1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The InChIKey is GWZNBTHONPZRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-3-13-19-14-11-18(12-15-19)10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9H,2-3,6,8,10-15H2,1H3.
What are the key properties of 1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] has a molecular weight of 257.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 15163141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).