2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol

C18H30N2O — CID 83995129

IUPAC2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
SMILESCC(C)(C)CNC1CC(CCO)CN(c2ccccc2)C1
InChIInChI=1S/C18H30N2O/c1-18(2,3)14-19-16-11-15(9-10-21)12-20(13-16)17-7-5-4-6-8-17/h4-8,15-16,19,21H,9-14H2,1-3H3
InChIKeyWWRKWPGMAMCZLB-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.90
Rot. Bonds5

About 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol

2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol (PubChem CID 83995129) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
PubChem CID83995129
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
SMILESCC(C)(C)CNC1CC(CCO)CN(c2ccccc2)C1
InChIInChI=1S/C18H30N2O/c1-18(2,3)14-19-16-11-15(9-10-21)12-20(13-16)17-7-5-4-6-8-17/h4-8,15-16,19,21H,9-14H2,1-3H3
InChIKeyWWRKWPGMAMCZLB-UHFFFAOYSA-N
XLogP2.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(ethylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83990423
N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
CID 83995125
2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
CID 83995156
N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83995163
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167
N-(1-phenyl-5-propylpiperidin-3-yl)acetamide
CID 112541852
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol (CID 83995129) is 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol is CC(C)(C)CNC1CC(CCO)CN(c2ccccc2)C1.
What is the InChIKey of 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol?
The InChIKey is WWRKWPGMAMCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)14-19-16-11-15(9-10-21)12-20(13-16)17-7-5-4-6-8-17/h4-8,15-16,19,21H,9-14H2,1-3H3.
What are the key properties of 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol?
2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol is sourced from PubChem (CID 83995129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).