2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol

C19H31N3O — CID 111113369

IUPAC2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCN1CCCCC1CN1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-20-10-6-5-9-18(20)15-21-11-13-22(14-12-21)16-19(23)17-7-3-2-4-8-17/h2-4,7-8,18-19,23H,5-6,9-16H2,1H3
InChIKeyTUIUMMLJBJTRNB-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol

2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 111113369) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
PubChem CID111113369
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCN1CCCCC1CN1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-20-10-6-5-9-18(20)15-21-11-13-22(14-12-21)16-19(23)17-7-3-2-4-8-17/h2-4,7-8,18-19,23H,5-6,9-16H2,1H3
InChIKeyTUIUMMLJBJTRNB-UHFFFAOYSA-N
XLogP1.82
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol 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

(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 95615873
(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111487950
(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
CID 94767855
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
(1S)-2-[4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]-1-phenylethanol
CID 100838911
(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 99104205
2-[2-(methylaminomethyl)piperidin-1-yl]-1-phenylethanol
CID 55169694
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 56783112
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol (CID 111113369) is 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol is CN1CCCCC1CN1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is TUIUMMLJBJTRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-20-10-6-5-9-18(20)15-21-11-13-22(14-12-21)16-19(23)17-7-3-2-4-8-17/h2-4,7-8,18-19,23H,5-6,9-16H2,1H3.
What are the key properties of 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 317.48 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 111113369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).