1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol

C17H34N2O — CID 62264266

IUPAC1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol
SMILESCC(C)(C)NCC1(CN2CCC(O)CC2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-16(2,3)18-13-17(9-5-4-6-10-17)14-19-11-7-15(20)8-12-19/h15,18,20H,4-14H2,1-3H3
InChIKeyWDXWFIIJVTXAJS-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds4

About 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol

1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol (PubChem CID 62264266) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol
PubChem CID62264266
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol
SMILESCC(C)(C)NCC1(CN2CCC(O)CC2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-16(2,3)18-13-17(9-5-4-6-10-17)14-19-11-7-15(20)8-12-19/h15,18,20H,4-14H2,1-3H3
InChIKeyWDXWFIIJVTXAJS-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol (CID 62264266) is 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol is CC(C)(C)NCC1(CN2CCC(O)CC2)CCCCC1.
What is the InChIKey of 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is WDXWFIIJVTXAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-16(2,3)18-13-17(9-5-4-6-10-17)14-19-11-7-15(20)8-12-19/h15,18,20H,4-14H2,1-3H3.
What are the key properties of 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol?
1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 62264266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).