2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol

C17H27NO — CID 116860112

IUPAC2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol
SMILESCc1cc(C)c(C)c(C(CO)N2CCCCC2)c1C
InChIInChI=1S/C17H27NO/c1-12-10-13(2)15(4)17(14(12)3)16(11-19)18-8-6-5-7-9-18/h10,16,19H,5-9,11H2,1-4H3
InChIKeyFTOMNBXKUODPFS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.44
Rot. Bonds3

About 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol

2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol (PubChem CID 116860112) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol.

Molecular Properties

Compound Name2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol
PubChem CID116860112
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol
SMILESCc1cc(C)c(C)c(C(CO)N2CCCCC2)c1C
InChIInChI=1S/C17H27NO/c1-12-10-13(2)15(4)17(14(12)3)16(11-19)18-8-6-5-7-9-18/h10,16,19H,5-9,11H2,1-4H3
InChIKeyFTOMNBXKUODPFS-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
CID 116860167
2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
CID 54775718
2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
CID 116860102
2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
CID 116860133
3-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 64527351
2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606
3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83921882
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 82090329
4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
CID 83922970

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol?
The IUPAC name of 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol (CID 116860112) is 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol.
What is the SMILES notation for 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol?
The canonical SMILES for 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol is Cc1cc(C)c(C)c(C(CO)N2CCCCC2)c1C.
What is the InChIKey of 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol?
The InChIKey is FTOMNBXKUODPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-10-13(2)15(4)17(14(12)3)16(11-19)18-8-6-5-7-9-18/h10,16,19H,5-9,11H2,1-4H3.
What are the key properties of 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol?
2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol is sourced from PubChem (CID 116860112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).