1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol

C15H29NO — CID 59293419

IUPAC1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol
SMILESCC(O)[C@@H]1C[C@H](CCN2CCCCC2)C1(C)C
InChIInChI=1S/C15H29NO/c1-12(17)14-11-13(15(14,2)3)7-10-16-8-5-4-6-9-16/h12-14,17H,4-11H2,1-3H3/t12?,13-,14-/m0/s1
InChIKeyQXPVYOPVBQYLTQ-TTZKSVMKSA-N
MW239.40 g/mol
LogP2.91
Rot. Bonds4

About 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol

1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol (PubChem CID 59293419) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol
PubChem CID59293419
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol
SMILESCC(O)[C@@H]1C[C@H](CCN2CCCCC2)C1(C)C
InChIInChI=1S/C15H29NO/c1-12(17)14-11-13(15(14,2)3)7-10-16-8-5-4-6-9-16/h12-14,17H,4-11H2,1-3H3/t12?,13-,14-/m0/s1
InChIKeyQXPVYOPVBQYLTQ-TTZKSVMKSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol?
The IUPAC name of 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol (CID 59293419) is 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol.
What is the SMILES notation for 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol?
The canonical SMILES for 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol is CC(O)[C@@H]1C[C@H](CCN2CCCCC2)C1(C)C.
What is the InChIKey of 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol?
The InChIKey is QXPVYOPVBQYLTQ-TTZKSVMKSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(17)14-11-13(15(14,2)3)7-10-16-8-5-4-6-9-16/h12-14,17H,4-11H2,1-3H3/t12?,13-,14-/m0/s1.
What are the key properties of 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol?
1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol has a molecular weight of 239.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]ethanol is sourced from PubChem (CID 59293419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).