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

C15H23NO — CID 82975258

IUPAC4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
SMILESCCC1(CC)CCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C15H23NO/c1-3-15(4-2)9-10-16(12-15)11-13-5-7-14(17)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyYFVZITIUVXCXMW-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.40
Rot. Bonds4

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

4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol (PubChem CID 82975258) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
PubChem CID82975258
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
SMILESCCC1(CC)CCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C15H23NO/c1-3-15(4-2)9-10-16(12-15)11-13-5-7-14(17)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyYFVZITIUVXCXMW-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82983375
2-chloro-6-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 112616380
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
CID 107160669
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol
CID 82983612
1-[3-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107455362
1-[3-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771573
1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140
4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol
CID 29259096
methyl 2-[(3,3-diethylpyrrolidin-1-yl)methyl]benzoate
CID 82969445
[4-ethyl-1-(furan-3-ylmethyl)piperidin-4-yl]methanol
CID 115883315

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol (CID 82975258) is 4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol is CCC1(CC)CCN(Cc2ccc(O)cc2)C1.
What is the InChIKey of 4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is YFVZITIUVXCXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-15(4-2)9-10-16(12-15)11-13-5-7-14(17)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3.
What are the key properties of 4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol?
4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 82975258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).