3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine

C27H51N3O — CID 134203202

IUPAC3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCCN(C2CCN(CC3CC(C(C)(C)C)CN(C4COC4)C3)CC2)C1
InChIInChI=1S/C27H51N3O/c1-26(2,3)22-8-7-11-29(17-22)24-9-12-28(13-10-24)15-21-14-23(27(4,5)6)18-30(16-21)25-19-31-20-25/h21-25H,7-20H2,1-6H3
InChIKeyMOWNBXHHDIHJDN-UHFFFAOYSA-N
MW433.73 g/mol
LogP4.59
Rot. Bonds4

About 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine

3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine (PubChem CID 134203202) has the molecular formula C27H51N3O and a molecular weight of 433.73 g/mol. Its IUPAC name is 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine
PubChem CID134203202
Molecular FormulaC27H51N3O
Molecular Weight433.73 g/mol
Exact Mass433.40
IUPAC Name3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCCN(C2CCN(CC3CC(C(C)(C)C)CN(C4COC4)C3)CC2)C1
InChIInChI=1S/C27H51N3O/c1-26(2,3)22-8-7-11-29(17-22)24-9-12-28(13-10-24)15-21-14-23(27(4,5)6)18-30(16-21)25-19-31-20-25/h21-25H,7-20H2,1-6H3
InChIKeyMOWNBXHHDIHJDN-UHFFFAOYSA-N
XLogP4.59
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.73
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine?
The IUPAC name of 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine (CID 134203202) is 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine is CC(C)(C)C1CCCN(C2CCN(CC3CC(C(C)(C)C)CN(C4COC4)C3)CC2)C1.
What is the InChIKey of 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine?
The InChIKey is MOWNBXHHDIHJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51N3O/c1-26(2,3)22-8-7-11-29(17-22)24-9-12-28(13-10-24)15-21-14-23(27(4,5)6)18-30(16-21)25-19-31-20-25/h21-25H,7-20H2,1-6H3.
What are the key properties of 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine?
3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine has a molecular weight of 433.73 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 134203202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).