[(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol

C13H27NO — CID 59004429

IUPAC[(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol
SMILESCCN1C[C@H](CO)C[C@@H](CC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-14-8-11(7-13(2,3)4)6-12(9-14)10-15/h11-12,15H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyDMWVJHJGLMEWNZ-NWDGAFQWSA-N
MW213.36 g/mol
LogP2.37
Rot. Bonds3

About [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol

[(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol (PubChem CID 59004429) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol
PubChem CID59004429
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol
SMILESCCN1C[C@H](CO)C[C@@H](CC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-14-8-11(7-13(2,3)4)6-12(9-14)10-15/h11-12,15H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyDMWVJHJGLMEWNZ-NWDGAFQWSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol?
The IUPAC name of [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol (CID 59004429) is [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol is CCN1C[C@H](CO)C[C@@H](CC(C)(C)C)C1.
What is the InChIKey of [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol?
The InChIKey is DMWVJHJGLMEWNZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-14-8-11(7-13(2,3)4)6-12(9-14)10-15/h11-12,15H,5-10H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol?
[(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-yl]methanol is sourced from PubChem (CID 59004429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).