2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol

C16H25NO — CID 117003516

IUPAC2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
SMILESCC(C)c1ccccc1N1CCC(CCO)CC1
InChIInChI=1S/C16H25NO/c1-13(2)15-5-3-4-6-16(15)17-10-7-14(8-11-17)9-12-18/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyHNSYWVBVNLTKOB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds4

About 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol

2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol (PubChem CID 117003516) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
PubChem CID117003516
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
SMILESCC(C)c1ccccc1N1CCC(CCO)CC1
InChIInChI=1S/C16H25NO/c1-13(2)15-5-3-4-6-16(15)17-10-7-14(8-11-17)9-12-18/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyHNSYWVBVNLTKOB-UHFFFAOYSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
2-[1-(2,5-dimethylphenyl)piperidin-4-yl]ethanol
CID 117003508
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 78934565
1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine
CID 43315030
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
CID 112677818

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol (CID 117003516) is 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol is CC(C)c1ccccc1N1CCC(CCO)CC1.
What is the InChIKey of 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol?
The InChIKey is HNSYWVBVNLTKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)15-5-3-4-6-16(15)17-10-7-14(8-11-17)9-12-18/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol?
2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 117003516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).