6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol

C18H35NO — CID 79848349

IUPAC6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC(C)(C)C1CCN(CC2CCCC(C)(C)C2O)CC1
InChIInChI=1S/C18H35NO/c1-17(2,3)15-8-11-19(12-9-15)13-14-7-6-10-18(4,5)16(14)20/h14-16,20H,6-13H2,1-5H3
InChIKeyXYDGIOXBBDPORZ-UHFFFAOYSA-N
MW281.48 g/mol
LogP3.93
Rot. Bonds2

About 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol

6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79848349) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79848349
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC(C)(C)C1CCN(CC2CCCC(C)(C)C2O)CC1
InChIInChI=1S/C18H35NO/c1-17(2,3)15-8-11-19(12-9-15)13-14-7-6-10-18(4,5)16(14)20/h14-16,20H,6-13H2,1-5H3
InChIKeyXYDGIOXBBDPORZ-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol (CID 79848349) is 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol is CC(C)(C)C1CCN(CC2CCCC(C)(C)C2O)CC1.
What is the InChIKey of 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is XYDGIOXBBDPORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-17(2,3)15-8-11-19(12-9-15)13-14-7-6-10-18(4,5)16(14)20/h14-16,20H,6-13H2,1-5H3.
What are the key properties of 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79848349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).