[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol

C16H25NO — CID 117019776

IUPAC[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol
SMILESCC(c1ccccc1)N1CCCC(CO)C1(C)C
InChIInChI=1S/C16H25NO/c1-13(14-8-5-4-6-9-14)17-11-7-10-15(12-18)16(17,2)3/h4-6,8-9,13,15,18H,7,10-12H2,1-3H3
InChIKeyTYGGEXBIZIFJKL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.23
Rot. Bonds3

About [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol

[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol (PubChem CID 117019776) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol
PubChem CID117019776
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol
SMILESCC(c1ccccc1)N1CCCC(CO)C1(C)C
InChIInChI=1S/C16H25NO/c1-13(14-8-5-4-6-9-14)17-11-7-10-15(12-18)16(17,2)3/h4-6,8-9,13,15,18H,7,10-12H2,1-3H3
InChIKeyTYGGEXBIZIFJKL-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol
CID 117020423
(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane
CID 102053741
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
CID 117014797
(7aS)-3,3-dimethyl-2-[(1S)-1-phenylethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1-thione
CID 101384625
(1,2,2-trimethylpiperidin-3-yl)methanol
CID 117019756
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
[(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 25324057
[(1S,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 102488734
2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
CID 78011341

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol (CID 117019776) is [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol is CC(c1ccccc1)N1CCCC(CO)C1(C)C.
What is the InChIKey of [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is TYGGEXBIZIFJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(14-8-5-4-6-9-14)17-11-7-10-15(12-18)16(17,2)3/h4-6,8-9,13,15,18H,7,10-12H2,1-3H3.
What are the key properties of [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol?
[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 117019776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).