1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol

C18H29NO — CID 66460889

IUPAC1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol
SMILESCC(c1ccncc1)C(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H29NO/c1-13(14-9-11-19-12-10-14)17(20)15-5-7-16(8-6-15)18(2,3)4/h9-13,15-17,20H,5-8H2,1-4H3
InChIKeyFYQBZDOQTXTUPZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.40
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol

1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol (PubChem CID 66460889) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol
PubChem CID66460889
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol
SMILESCC(c1ccncc1)C(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H29NO/c1-13(14-9-11-19-12-10-14)17(20)15-5-7-16(8-6-15)18(2,3)4/h9-13,15-17,20H,5-8H2,1-4H3
InChIKeyFYQBZDOQTXTUPZ-UHFFFAOYSA-N
XLogP4.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol (CID 66460889) is 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol is CC(c1ccncc1)C(O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol?
The InChIKey is FYQBZDOQTXTUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(14-9-11-19-12-10-14)17(20)15-5-7-16(8-6-15)18(2,3)4/h9-13,15-17,20H,5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol?
1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 66460889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).