4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol

C16H26N2O — CID 115304157

IUPAC4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
SMILESCNC1(C)CCN(C(C)c2cc(C)ccc2O)CC1
InChIInChI=1S/C16H26N2O/c1-12-5-6-15(19)14(11-12)13(2)18-9-7-16(3,17-4)8-10-18/h5-6,11,13,17,19H,7-10H2,1-4H3
InChIKeyJRCLVZJGRUUESF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds3

About 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol

4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol (PubChem CID 115304157) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
PubChem CID115304157
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
SMILESCNC1(C)CCN(C(C)c2cc(C)ccc2O)CC1
InChIInChI=1S/C16H26N2O/c1-12-5-6-15(19)14(11-12)13(2)18-9-7-16(3,17-4)8-10-18/h5-6,11,13,17,19H,7-10H2,1-4H3
InChIKeyJRCLVZJGRUUESF-UHFFFAOYSA-N
XLogP2.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304050
4-methyl-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 93464487
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-4-methylphenol
CID 82983849
4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
CID 63250598
4-methyl-2-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]phenol
CID 82979374
2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol
CID 82959418
2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol
CID 82979180
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-methylphenol
CID 66211761
2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol
CID 65461102
1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304222
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304160
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 104583343

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol (CID 115304157) is 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol is CNC1(C)CCN(C(C)c2cc(C)ccc2O)CC1.
What is the InChIKey of 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol?
The InChIKey is JRCLVZJGRUUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-6-15(19)14(11-12)13(2)18-9-7-16(3,17-4)8-10-18/h5-6,11,13,17,19H,7-10H2,1-4H3.
What are the key properties of 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol?
4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol is sourced from PubChem (CID 115304157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).