1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol

C21H39NO — CID 10245537

IUPAC1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol
SMILESOC(CCCN1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H39NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h19-20,23H,1-18H2
InChIKeyDLWWKRYLNNZEFF-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.14
Rot. Bonds6

About 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol

1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol (PubChem CID 10245537) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol
PubChem CID10245537
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol
SMILESOC(CCCN1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H39NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h19-20,23H,1-18H2
InChIKeyDLWWKRYLNNZEFF-UHFFFAOYSA-N
XLogP5.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol?
The IUPAC name of 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol (CID 10245537) is 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol is OC(CCCN1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol?
The InChIKey is DLWWKRYLNNZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h19-20,23H,1-18H2.
What are the key properties of 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol?
1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol has a molecular weight of 321.55 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-4-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 10245537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).