4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine

C26H40N2O2 — CID 166231686

IUPAC4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
SMILESc1cc(CN2CCC(C3CCCO3)CC2)cc(CN2CCC(C3CCCO3)CC2)c1
InChIInChI=1S/C26H40N2O2/c1-4-21(19-27-12-8-23(9-13-27)25-6-2-16-29-25)18-22(5-1)20-28-14-10-24(11-15-28)26-7-3-17-30-26/h1,4-5,18,23-26H,2-3,6-17,19-20H2
InChIKeySNORHSBIQAIMEL-UHFFFAOYSA-N
MW412.62 g/mol
LogP4.47
Rot. Bonds6

About 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine

4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine (PubChem CID 166231686) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
PubChem CID166231686
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC Name4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
SMILESc1cc(CN2CCC(C3CCCO3)CC2)cc(CN2CCC(C3CCCO3)CC2)c1
InChIInChI=1S/C26H40N2O2/c1-4-21(19-27-12-8-23(9-13-27)25-6-2-16-29-25)18-22(5-1)20-28-14-10-24(11-15-28)26-7-3-17-30-26/h1,4-5,18,23-26H,2-3,6-17,19-20H2
InChIKeySNORHSBIQAIMEL-UHFFFAOYSA-N
XLogP4.47
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine with MolForge

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Related Compounds

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(1R,6R)-3-benzyl-7-oxa-3-azabicyclo[4.2.0]octane
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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
The IUPAC name of 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine (CID 166231686) is 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine.
What is the SMILES notation for 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
The canonical SMILES for 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine is c1cc(CN2CCC(C3CCCO3)CC2)cc(CN2CCC(C3CCCO3)CC2)c1.
What is the InChIKey of 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
The InChIKey is SNORHSBIQAIMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-4-21(19-27-12-8-23(9-13-27)25-6-2-16-29-25)18-22(5-1)20-28-14-10-24(11-15-28)26-7-3-17-30-26/h1,4-5,18,23-26H,2-3,6-17,19-20H2.
What are the key properties of 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine?
4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine has a molecular weight of 412.62 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-[[3-[[4-(oxolan-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine is sourced from PubChem (CID 166231686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).