1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine

C18H31NO2 — CID 3108049

IUPAC1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine
SMILESC1CCN(CC2COC3(CCC4CCCCC4C3)O2)CC1
InChIInChI=1S/C18H31NO2/c1-4-10-19(11-5-1)13-17-14-20-18(21-17)9-8-15-6-2-3-7-16(15)12-18/h15-17H,1-14H2
InChIKeyXBGMCAWJVPHBRD-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.57
Rot. Bonds2

About 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine

1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine (PubChem CID 3108049) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine
PubChem CID3108049
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine
SMILESC1CCN(CC2COC3(CCC4CCCCC4C3)O2)CC1
InChIInChI=1S/C18H31NO2/c1-4-10-19(11-5-1)13-17-14-20-18(21-17)9-8-15-6-2-3-7-16(15)12-18/h15-17H,1-14H2
InChIKeyXBGMCAWJVPHBRD-UHFFFAOYSA-N
XLogP3.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine?
The IUPAC name of 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine (CID 3108049) is 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine.
What is the SMILES notation for 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine?
The canonical SMILES for 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine is C1CCN(CC2COC3(CCC4CCCCC4C3)O2)CC1.
What is the InChIKey of 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine?
The InChIKey is XBGMCAWJVPHBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-10-19(11-5-1)13-17-14-20-18(21-17)9-8-15-6-2-3-7-16(15)12-18/h15-17H,1-14H2.
What are the key properties of 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine?
1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine has a molecular weight of 293.45 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-4-ylmethyl)piperidine is sourced from PubChem (CID 3108049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).