1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine

C19H37N — CID 59476425

IUPAC1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine
SMILESCC(C)(C)C1CCC(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N/c1-18(2,3)17-9-7-15(8-10-17)16-11-13-20(14-12-16)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyVLTYOASDROLCTH-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.35
Rot. Bonds1

About 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine

1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine (PubChem CID 59476425) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine
PubChem CID59476425
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine
SMILESCC(C)(C)C1CCC(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N/c1-18(2,3)17-9-7-15(8-10-17)16-11-13-20(14-12-16)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyVLTYOASDROLCTH-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine (CID 59476425) is 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine is CC(C)(C)C1CCC(C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine?
The InChIKey is VLTYOASDROLCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-18(2,3)17-9-7-15(8-10-17)16-11-13-20(14-12-16)19(4,5)6/h15-17H,7-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine?
1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine has a molecular weight of 279.51 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-tert-butylcyclohexyl)piperidine is sourced from PubChem (CID 59476425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).