[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol

C16H25NO — CID 117019795

IUPAC[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
SMILESCc1cccc(N2CCCC(CO)C2(C)C)c1C
InChIInChI=1S/C16H25NO/c1-12-7-5-9-15(13(12)2)17-10-6-8-14(11-18)16(17,3)4/h5,7,9,14,18H,6,8,10-11H2,1-4H3
InChIKeyBUXPEIPTMDNCFC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds2

About [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol

[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol (PubChem CID 117019795) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
PubChem CID117019795
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
SMILESCc1cccc(N2CCCC(CO)C2(C)C)c1C
InChIInChI=1S/C16H25NO/c1-12-7-5-9-15(13(12)2)17-10-6-8-14(11-18)16(17,3)4/h5,7,9,14,18H,6,8,10-11H2,1-4H3
InChIKeyBUXPEIPTMDNCFC-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol?
The IUPAC name of [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol (CID 117019795) is [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol is Cc1cccc(N2CCCC(CO)C2(C)C)c1C.
What is the InChIKey of [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol?
The InChIKey is BUXPEIPTMDNCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-5-9-15(13(12)2)17-10-6-8-14(11-18)16(17,3)4/h5,7,9,14,18H,6,8,10-11H2,1-4H3.
What are the key properties of [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol?
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol is sourced from PubChem (CID 117019795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).