1,3,5-tritert-butylpiperidine

C17H35N — CID 118013533

IUPAC1,3,5-tritert-butylpiperidine
SMILESCC(C)(C)C1CC(C(C)(C)C)CN(C(C)(C)C)C1
InChIInChI=1S/C17H35N/c1-15(2,3)13-10-14(16(4,5)6)12-18(11-13)17(7,8)9/h13-14H,10-12H2,1-9H3
InChIKeyRDMPQSZYCCUBCB-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.82
Rot. Bonds

About 1,3,5-tritert-butylpiperidine

1,3,5-tritert-butylpiperidine (PubChem CID 118013533) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1,3,5-tritert-butylpiperidine.

Molecular Properties

Compound Name1,3,5-tritert-butylpiperidine
PubChem CID118013533
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1,3,5-tritert-butylpiperidine
SMILESCC(C)(C)C1CC(C(C)(C)C)CN(C(C)(C)C)C1
InChIInChI=1S/C17H35N/c1-15(2,3)13-10-14(16(4,5)6)12-18(11-13)17(7,8)9/h13-14H,10-12H2,1-9H3
InChIKeyRDMPQSZYCCUBCB-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tritert-butylpiperidine?
The IUPAC name of 1,3,5-tritert-butylpiperidine (CID 118013533) is 1,3,5-tritert-butylpiperidine.
What is the SMILES notation for 1,3,5-tritert-butylpiperidine?
The canonical SMILES for 1,3,5-tritert-butylpiperidine is CC(C)(C)C1CC(C(C)(C)C)CN(C(C)(C)C)C1.
What is the InChIKey of 1,3,5-tritert-butylpiperidine?
The InChIKey is RDMPQSZYCCUBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-15(2,3)13-10-14(16(4,5)6)12-18(11-13)17(7,8)9/h13-14H,10-12H2,1-9H3.
What are the key properties of 1,3,5-tritert-butylpiperidine?
1,3,5-tritert-butylpiperidine has a molecular weight of 253.47 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tritert-butylpiperidine is sourced from PubChem (CID 118013533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).