1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol

C15H29NO — CID 79065510

IUPAC1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)CC1CCC1)N1CCCCC1
InChIInChI=1S/C15H29NO/c1-3-15(2,16-10-5-4-6-11-16)14(17)12-13-8-7-9-13/h13-14,17H,3-12H2,1-2H3
InChIKeyAOJSJBACMUYTQP-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.19
Rot. Bonds5

About 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol

1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol (PubChem CID 79065510) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
PubChem CID79065510
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)CC1CCC1)N1CCCCC1
InChIInChI=1S/C15H29NO/c1-3-15(2,16-10-5-4-6-11-16)14(17)12-13-8-7-9-13/h13-14,17H,3-12H2,1-2H3
InChIKeyAOJSJBACMUYTQP-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol?
The IUPAC name of 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol (CID 79065510) is 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol?
The canonical SMILES for 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol is CCC(C)(C(O)CC1CCC1)N1CCCCC1.
What is the InChIKey of 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol?
The InChIKey is AOJSJBACMUYTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-15(2,16-10-5-4-6-11-16)14(17)12-13-8-7-9-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol?
1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol is sourced from PubChem (CID 79065510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).