4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol

C15H24N2O — CID 61210661

IUPAC4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC2CCCN(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-15(18)14(9-11)12(2)16-13-5-4-8-17(3)10-13/h6-7,9,12-13,16,18H,4-5,8,10H2,1-3H3
InChIKeyIJFHJRNTOZNNQL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.45
Rot. Bonds3

About 4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol

4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol (PubChem CID 61210661) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol
PubChem CID61210661
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC2CCCN(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-15(18)14(9-11)12(2)16-13-5-4-8-17(3)10-13/h6-7,9,12-13,16,18H,4-5,8,10H2,1-3H3
InChIKeyIJFHJRNTOZNNQL-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.45
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

2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
CID 61466696
2-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-4-methylphenol
CID 43615113
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine
CID 65197375
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210865
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol
CID 103965620
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
CID 61212533
4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol
CID 62303911
4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
CID 82980214
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341
4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol
CID 43727389

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol (CID 61210661) is 4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol is Cc1ccc(O)c(C(C)NC2CCCN(C)C2)c1.
What is the InChIKey of 4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol?
The InChIKey is IJFHJRNTOZNNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-15(18)14(9-11)12(2)16-13-5-4-8-17(3)10-13/h6-7,9,12-13,16,18H,4-5,8,10H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol?
4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.45, 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-[(1-methylpiperidin-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 61210661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).