2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol

C17H27NO — CID 117020423

IUPAC2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol
SMILESCC(c1ccccc1)N1CCC(CCO)CC1(C)C
InChIInChI=1S/C17H27NO/c1-14(16-7-5-4-6-8-16)18-11-9-15(10-12-19)13-17(18,2)3/h4-8,14-15,19H,9-13H2,1-3H3
InChIKeySKAGGNLBAMJUGR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.62
Rot. Bonds4

About 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol

2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol (PubChem CID 117020423) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol
PubChem CID117020423
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol
SMILESCC(c1ccccc1)N1CCC(CCO)CC1(C)C
InChIInChI=1S/C17H27NO/c1-14(16-7-5-4-6-8-16)18-11-9-15(10-12-19)13-17(18,2)3/h4-8,14-15,19H,9-13H2,1-3H3
InChIKeySKAGGNLBAMJUGR-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol
CID 117019776
(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane
CID 102053741
2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
CID 117003516
3-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 114797349
2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol
CID 117018507
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
CID 117014797
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine
CID 60542956
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911
benzene;5-[4-[1-[4-(2-hydroxyethyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
CID 143930322

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol (CID 117020423) is 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol is CC(c1ccccc1)N1CCC(CCO)CC1(C)C.
What is the InChIKey of 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol?
The InChIKey is SKAGGNLBAMJUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(16-7-5-4-6-8-16)18-11-9-15(10-12-19)13-17(18,2)3/h4-8,14-15,19H,9-13H2,1-3H3.
What are the key properties of 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol?
2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 117020423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).