2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol

C14H27NO — CID 24857509

IUPAC2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol
SMILESCC1(C)[C@H](CCO)C[C@@H]1CN1CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2)12(6-9-16)10-13(14)11-15-7-4-3-5-8-15/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyGASITKGQZOKZRT-CHWSQXEVSA-N
MW225.38 g/mol
LogP2.52
Rot. Bonds4

About 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol

2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol (PubChem CID 24857509) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol
PubChem CID24857509
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol
SMILESCC1(C)[C@H](CCO)C[C@@H]1CN1CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2)12(6-9-16)10-13(14)11-15-7-4-3-5-8-15/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyGASITKGQZOKZRT-CHWSQXEVSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol?
The IUPAC name of 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol (CID 24857509) is 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol.
What is the SMILES notation for 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol?
The canonical SMILES for 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol is CC1(C)[C@H](CCO)C[C@@H]1CN1CCCCC1.
What is the InChIKey of 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol?
The InChIKey is GASITKGQZOKZRT-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2)12(6-9-16)10-13(14)11-15-7-4-3-5-8-15/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol?
2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol has a molecular weight of 225.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol is sourced from PubChem (CID 24857509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).