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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Related Compounds

1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine
CID 170019635
2-tert-butyl-5-(3-tert-butylazetidin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166559649
1,3-ditert-butylpiperidine;methane
CID 157116364
3,6-ditert-butyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 170939431
(3R)-1-tert-butyl-3-methylcyclopentane;1,3-ditert-butylazetidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;ethane
CID 165073914
(1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane
CID 169076055
1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
CID 89335604
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
3-tert-butyl-1-[5-(1-tert-butylazetidin-3-yl)-2,5-dimethylhexan-2-yl]pyrrolidine
CID 126725527
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
1-tert-butyl-3-(4-tert-butylcyclohexyl)sulfonylazetidine
CID 153186036
3-tert-butyl-6-sulfanyl-3,6-diazabicyclo[3.1.1]heptane
CID 167027579

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).