1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

C20H24N2 — CID 15163155

IUPAC1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCCc4ccccc43)CC2)nc1
InChIInChI=1S/C20H24N2/c1-2-9-19-17(6-1)7-5-10-20(19)11-14-22(15-12-20)16-18-8-3-4-13-21-18/h1-4,6,8-9,13H,5,7,10-12,14-16H2
InChIKeyHWAJQCQGHPYXND-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.95
Rot. Bonds2

About 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (PubChem CID 15163155) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
PubChem CID15163155
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCCc4ccccc43)CC2)nc1
InChIInChI=1S/C20H24N2/c1-2-9-19-17(6-1)7-5-10-20(19)11-14-22(15-12-20)16-18-8-3-4-13-21-18/h1-4,6,8-9,13H,5,7,10-12,14-16H2
InChIKeyHWAJQCQGHPYXND-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (CID 15163155) is 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is c1ccc(CN2CCC3(CCCc4ccccc43)CC2)nc1.
What is the InChIKey of 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The InChIKey is HWAJQCQGHPYXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-9-19-17(6-1)7-5-10-20(19)11-14-22(15-12-20)16-18-8-3-4-13-21-18/h1-4,6,8-9,13H,5,7,10-12,14-16H2.
What are the key properties of 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] has a molecular weight of 292.43 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 15163155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).