1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol

C17H27NO — CID 55166791

IUPAC1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
SMILESCCC1(CC)CCN(c2ccccc2C(C)O)CC1
InChIInChI=1S/C17H27NO/c1-4-17(5-2)10-12-18(13-11-17)16-9-7-6-8-15(16)14(3)19/h6-9,14,19H,4-5,10-13H2,1-3H3
InChIKeyPCFBFPOCGMLWSC-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.15
Rot. Bonds4

About 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol (PubChem CID 55166791) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
PubChem CID55166791
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
SMILESCCC1(CC)CCN(c2ccccc2C(C)O)CC1
InChIInChI=1S/C17H27NO/c1-4-17(5-2)10-12-18(13-11-17)16-9-7-6-8-15(16)14(3)19/h6-9,14,19H,4-5,10-13H2,1-3H3
InChIKeyPCFBFPOCGMLWSC-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 78941147
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201
1-[2-(4-propylpiperazin-1-yl)phenyl]ethanol
CID 43510167
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939148
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
(1R)-1-(2-thiomorpholin-4-ylphenyl)ethanol
CID 78939439
2-(4,4-diethylpiperidin-1-yl)benzoic acid
CID 63513477
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794357
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanol
CID 63610270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol (CID 55166791) is 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol is CCC1(CC)CCN(c2ccccc2C(C)O)CC1.
What is the InChIKey of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is PCFBFPOCGMLWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-17(5-2)10-12-18(13-11-17)16-9-7-6-8-15(16)14(3)19/h6-9,14,19H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol?
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 261.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 55166791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).