4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol

C16H25NO — CID 82983612

IUPAC4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol
SMILESCCC1(CC)CCN(C(C)c2ccc(O)cc2)C1
InChIInChI=1S/C16H25NO/c1-4-16(5-2)10-11-17(12-16)13(3)14-6-8-15(18)9-7-14/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyOJMVEIWDHHSODJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.97
Rot. Bonds4

About 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol

4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol (PubChem CID 82983612) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol
PubChem CID82983612
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol
SMILESCCC1(CC)CCN(C(C)c2ccc(O)cc2)C1
InChIInChI=1S/C16H25NO/c1-4-16(5-2)10-11-17(12-16)13(3)14-6-8-15(18)9-7-14/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyOJMVEIWDHHSODJ-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82982908
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-4-methylphenol
CID 82983849
2-[1-(4,4-diethylpiperidin-1-yl)ethyl]benzene-1,3-diol
CID 107711919
4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82975258
3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064332
3-ethyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65063989
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
CID 82979936
4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol
CID 82980012
3-methyl-1-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064030
1-[1-(4-ethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064258
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol?
The IUPAC name of 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol (CID 82983612) is 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol?
The canonical SMILES for 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol is CCC1(CC)CCN(C(C)c2ccc(O)cc2)C1.
What is the InChIKey of 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol?
The InChIKey is OJMVEIWDHHSODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(5-2)10-11-17(12-16)13(3)14-6-8-15(18)9-7-14/h6-9,13,18H,4-5,10-12H2,1-3H3.
What are the key properties of 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol?
4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol is sourced from PubChem (CID 82983612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).