2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol

C16H25NO — CID 117021321

IUPAC2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol
SMILESCC1(C)CCC(CCO)CN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2)10-8-15(9-11-18)13-17(16)12-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyVFELAUQZTQLNRY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds4

About 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol

2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol (PubChem CID 117021321) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol
PubChem CID117021321
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol
SMILESCC1(C)CCC(CCO)CN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2)10-8-15(9-11-18)13-17(16)12-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyVFELAUQZTQLNRY-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 117018518
1-benzyl-6,6-dimethylpiperidine-3-carbonitrile
CID 117021153
2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol
CID 117018523
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
2-[1-(2-methoxyphenyl)-6,6-dimethylpiperidin-3-yl]ethanol
CID 117021351
2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
CID 117025569
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
CID 117018520
(1-benzyl-2-methylazetidin-2-yl)methanol
CID 53343747
2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine
CID 117021440
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol (CID 117021321) is 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol is CC1(C)CCC(CCO)CN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol?
The InChIKey is VFELAUQZTQLNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)10-8-15(9-11-18)13-17(16)12-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3.
What are the key properties of 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol?
2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol is sourced from PubChem (CID 117021321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).