1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol

C15H29NO — CID 142321094

IUPAC1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol
SMILESCC(C)(C)C1(O)CCC(C2CCNCC2)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)15(17)8-4-12(5-9-15)13-6-10-16-11-7-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyQVCRFVWUVOOQOA-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.95
Rot. Bonds1

About 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol

1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol (PubChem CID 142321094) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol
PubChem CID142321094
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol
SMILESCC(C)(C)C1(O)CCC(C2CCNCC2)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)15(17)8-4-12(5-9-15)13-6-10-16-11-7-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyQVCRFVWUVOOQOA-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol?
The IUPAC name of 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol (CID 142321094) is 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol.
What is the SMILES notation for 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol?
The canonical SMILES for 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol is CC(C)(C)C1(O)CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol?
The InChIKey is QVCRFVWUVOOQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)15(17)8-4-12(5-9-15)13-6-10-16-11-7-13/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol?
1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-piperidin-4-ylcyclohexan-1-ol is sourced from PubChem (CID 142321094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).