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

C14H17N — CID 22012177

IUPACspiro[1H-naphthalene-4,4'-piperidine]
SMILESC1=CC2(CCNCC2)c2ccccc2C1
InChIInChI=1S/C14H17N/c1-2-6-13-12(4-1)5-3-7-14(13)8-10-15-11-9-14/h1-4,6-7,15H,5,8-11H2
InChIKeyISQRAYINJCWWLE-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.42
Rot. Bonds

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

spiro[1H-naphthalene-4,4'-piperidine] (PubChem CID 22012177) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is spiro[1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Namespiro[1H-naphthalene-4,4'-piperidine]
PubChem CID22012177
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Namespiro[1H-naphthalene-4,4'-piperidine]
SMILESC1=CC2(CCNCC2)c2ccccc2C1
InChIInChI=1S/C14H17N/c1-2-6-13-12(4-1)5-3-7-14(13)8-10-15-11-9-14/h1-4,6-7,15H,5,8-11H2
InChIKeyISQRAYINJCWWLE-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-naphthalene-4,4'-piperidine]?
The IUPAC name of spiro[1H-naphthalene-4,4'-piperidine] (CID 22012177) is spiro[1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for spiro[1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for spiro[1H-naphthalene-4,4'-piperidine] is C1=CC2(CCNCC2)c2ccccc2C1.
What is the InChIKey of spiro[1H-naphthalene-4,4'-piperidine]?
The InChIKey is ISQRAYINJCWWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-6-13-12(4-1)5-3-7-14(13)8-10-15-11-9-14/h1-4,6-7,15H,5,8-11H2.
What are the key properties of spiro[1H-naphthalene-4,4'-piperidine]?
spiro[1H-naphthalene-4,4'-piperidine] has a molecular weight of 199.30 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 22012177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).