5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol

C18H28N2O — CID 82961971

IUPAC5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
SMILESCc1ccc(C(C)N2CCC(N3CCCCC3)C2)c(O)c1
InChIInChI=1S/C18H28N2O/c1-14-6-7-17(18(21)12-14)15(2)20-11-8-16(13-20)19-9-4-3-5-10-19/h6-7,12,15-16,21H,3-5,8-11,13H2,1-2H3
InChIKeyFAWPLCHGGVRNJU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.32
Rot. Bonds3

About 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol

5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol (PubChem CID 82961971) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
PubChem CID82961971
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
SMILESCc1ccc(C(C)N2CCC(N3CCCCC3)C2)c(O)c1
InChIInChI=1S/C18H28N2O/c1-14-6-7-17(18(21)12-14)15(2)20-11-8-16(13-20)19-9-4-3-5-10-19/h6-7,12,15-16,21H,3-5,8-11,13H2,1-2H3
InChIKeyFAWPLCHGGVRNJU-UHFFFAOYSA-N
XLogP3.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-methylphenol
CID 82977653
2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol
CID 102969229
2-[1-(4-tert-butylazepan-1-yl)ethyl]-5-methylphenol
CID 82965233
2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol
CID 82959418
5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol
CID 82982334
4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980205
4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol
CID 107721149
2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol
CID 82976718
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351
4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63171627
5-methyl-2-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]phenol
CID 82965331
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol (CID 82961971) is 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol is Cc1ccc(C(C)N2CCC(N3CCCCC3)C2)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol?
The InChIKey is FAWPLCHGGVRNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-6-7-17(18(21)12-14)15(2)20-11-8-16(13-20)19-9-4-3-5-10-19/h6-7,12,15-16,21H,3-5,8-11,13H2,1-2H3.
What are the key properties of 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol?
5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol has a molecular weight of 288.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol is sourced from PubChem (CID 82961971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).