1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine

C26H37NO — CID 46932398

IUPAC1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine
SMILESc1ccc(C2(C34CC5CC(CC(C5)C3)C4)CC(CN3CCCCC3)CO2)cc1
InChIInChI=1S/C26H37NO/c1-3-7-24(8-4-1)26(17-23(19-28-26)18-27-9-5-2-6-10-27)25-14-20-11-21(15-25)13-22(12-20)16-25/h1,3-4,7-8,20-23H,2,5-6,9-19H2
InChIKeySPNUSZOTHGVFJG-UHFFFAOYSA-N
MW379.59 g/mol
LogP5.62
Rot. Bonds4

About 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine

1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine (PubChem CID 46932398) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine
PubChem CID46932398
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine
SMILESc1ccc(C2(C34CC5CC(CC(C5)C3)C4)CC(CN3CCCCC3)CO2)cc1
InChIInChI=1S/C26H37NO/c1-3-7-24(8-4-1)26(17-23(19-28-26)18-27-9-5-2-6-10-27)25-14-20-11-21(15-25)13-22(12-20)16-25/h1,3-4,7-8,20-23H,2,5-6,9-19H2
InChIKeySPNUSZOTHGVFJG-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N-methylmethanamine;hydrochloride
CID 46932395
1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol
CID 91840019
3-(1-adamantyl)-1-pentyl-3-phenylpiperidine;hydrochloride
CID 90331301
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
1-(1,2-diphenylcyclopropyl)piperidine
CID 86177466
1-(oxetan-3-ylmethyl)piperidine
CID 57169736
9-(pyridin-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 134072573
[2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane
CID 118112414
2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid
CID 67480127
(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488488
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine?
The IUPAC name of 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine (CID 46932398) is 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine is c1ccc(C2(C34CC5CC(CC(C5)C3)C4)CC(CN3CCCCC3)CO2)cc1.
What is the InChIKey of 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine?
The InChIKey is SPNUSZOTHGVFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-3-7-24(8-4-1)26(17-23(19-28-26)18-27-9-5-2-6-10-27)25-14-20-11-21(15-25)13-22(12-20)16-25/h1,3-4,7-8,20-23H,2,5-6,9-19H2.
What are the key properties of 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine?
1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine has a molecular weight of 379.59 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine is sourced from PubChem (CID 46932398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).