2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol

C16H26N2O — CID 105057805

IUPAC2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol
SMILESCN1CCCC(CNC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-16(13-19,15-8-4-3-5-9-15)17-11-14-7-6-10-18(2)12-14/h3-5,8-9,14,17,19H,6-7,10-13H2,1-2H3
InChIKeyIGDREZNYPNPQCW-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.83
Rot. Bonds5

About 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol

2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol (PubChem CID 105057805) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol
PubChem CID105057805
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol
SMILESCN1CCCC(CNC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-16(13-19,15-8-4-3-5-9-15)17-11-14-7-6-10-18(2)12-14/h3-5,8-9,14,17,19H,6-7,10-13H2,1-2H3
InChIKeyIGDREZNYPNPQCW-UHFFFAOYSA-N
XLogP1.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol 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-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
CID 114999324
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
2-(cyclopropylmethylamino)-2-pyridin-4-ylpropan-1-ol
CID 61055830
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol
CID 62658137
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
1-(2,2-diphenylethyl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111766727
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 115754110
2-cyclohexyl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058964

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol (CID 105057805) is 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol is CN1CCCC(CNC(C)(CO)c2ccccc2)C1.
What is the InChIKey of 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is IGDREZNYPNPQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(13-19,15-8-4-3-5-9-15)17-11-14-7-6-10-18(2)12-14/h3-5,8-9,14,17,19H,6-7,10-13H2,1-2H3.
What are the key properties of 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol?
2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 105057805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).