4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol

C18H36N2O — CID 63236736

IUPAC4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol
SMILESCN1CCC(CN(C)C2CC(C(C)(C)C)CCC2O)CC1
InChIInChI=1S/C18H36N2O/c1-18(2,3)15-6-7-17(21)16(12-15)20(5)13-14-8-10-19(4)11-9-14/h14-17,21H,6-13H2,1-5H3
InChIKeyCBBSOTNPAZWWMI-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.84
Rot. Bonds3

About 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol

4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 63236736) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol
PubChem CID63236736
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol
SMILESCN1CCC(CN(C)C2CC(C(C)(C)C)CCC2O)CC1
InChIInChI=1S/C18H36N2O/c1-18(2,3)15-6-7-17(21)16(12-15)20(5)13-14-8-10-19(4)11-9-14/h14-17,21H,6-13H2,1-5H3
InChIKeyCBBSOTNPAZWWMI-UHFFFAOYSA-N
XLogP2.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol (CID 63236736) is 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol is CN1CCC(CN(C)C2CC(C(C)(C)C)CCC2O)CC1.
What is the InChIKey of 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is CBBSOTNPAZWWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-18(2,3)15-6-7-17(21)16(12-15)20(5)13-14-8-10-19(4)11-9-14/h14-17,21H,6-13H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol?
4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 63236736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).