4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol

C18H30N2O — CID 106623363

IUPAC4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
SMILESCCCN(CC1CCCCN1)C(C)c1cc(C)ccc1O
InChIInChI=1S/C18H30N2O/c1-4-11-20(13-16-7-5-6-10-19-16)15(3)17-12-14(2)8-9-18(17)21/h8-9,12,15-16,19,21H,4-7,10-11,13H2,1-3H3
InChIKeyWXLCNVCOXBQJCJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.62
Rot. Bonds6

About 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol

4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol (PubChem CID 106623363) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
PubChem CID106623363
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
SMILESCCCN(CC1CCCCN1)C(C)c1cc(C)ccc1O
InChIInChI=1S/C18H30N2O/c1-4-11-20(13-16-7-5-6-10-19-16)15(3)17-12-14(2)8-9-18(17)21/h8-9,12,15-16,19,21H,4-7,10-11,13H2,1-3H3
InChIKeyWXLCNVCOXBQJCJ-UHFFFAOYSA-N
XLogP3.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 106599046
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202
2-[1-(2-methoxy-5-methylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606918
2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106604519
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
N-(piperidin-2-ylmethyl)-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 106623353

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol (CID 106623363) is 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol is CCCN(CC1CCCCN1)C(C)c1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol?
The InChIKey is WXLCNVCOXBQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-11-20(13-16-7-5-6-10-19-16)15(3)17-12-14(2)8-9-18(17)21/h8-9,12,15-16,19,21H,4-7,10-11,13H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol?
4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol is sourced from PubChem (CID 106623363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).