1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine

C22H33NO2 — CID 66756108

IUPAC1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine
SMILESc1ccc(CCC(C2CCC3(CC2)OCCO3)N2CCCCC2)cc1
InChIInChI=1S/C22H33NO2/c1-3-7-19(8-4-1)9-10-21(23-15-5-2-6-16-23)20-11-13-22(14-12-20)24-17-18-25-22/h1,3-4,7-8,20-21H,2,5-6,9-18H2
InChIKeyHTFGXNQYDDQSAJ-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.41
Rot. Bonds5

About 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine

1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine (PubChem CID 66756108) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine.

Molecular Properties

Compound Name1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine
PubChem CID66756108
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine
SMILESc1ccc(CCC(C2CCC3(CC2)OCCO3)N2CCCCC2)cc1
InChIInChI=1S/C22H33NO2/c1-3-7-19(8-4-1)9-10-21(23-15-5-2-6-16-23)20-11-13-22(14-12-20)24-17-18-25-22/h1,3-4,7-8,20-21H,2,5-6,9-18H2
InChIKeyHTFGXNQYDDQSAJ-UHFFFAOYSA-N
XLogP4.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine?
The IUPAC name of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine (CID 66756108) is 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine.
What is the SMILES notation for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine?
The canonical SMILES for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine is c1ccc(CCC(C2CCC3(CC2)OCCO3)N2CCCCC2)cc1.
What is the InChIKey of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine?
The InChIKey is HTFGXNQYDDQSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-3-7-19(8-4-1)9-10-21(23-15-5-2-6-16-23)20-11-13-22(14-12-20)24-17-18-25-22/h1,3-4,7-8,20-21H,2,5-6,9-18H2.
What are the key properties of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine?
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine has a molecular weight of 343.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine is sourced from PubChem (CID 66756108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).