2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol

C18H36N4O — CID 82564927

IUPAC2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCC1CCN(C2CNCCC2CN2CCN(CCO)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-16-3-6-22(7-4-16)18-14-19-5-2-17(18)15-21-10-8-20(9-11-21)12-13-23/h16-19,23H,2-15H2,1H3
InChIKeyJLDHSIZYDYXOIG-UHFFFAOYSA-N
MW324.51 g/mol
LogP0.31
Rot. Bonds5

About 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 82564927) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol
PubChem CID82564927
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCC1CCN(C2CNCCC2CN2CCN(CCO)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-16-3-6-22(7-4-16)18-14-19-5-2-17(18)15-21-10-8-20(9-11-21)12-13-23/h16-19,23H,2-15H2,1H3
InChIKeyJLDHSIZYDYXOIG-UHFFFAOYSA-N
XLogP0.31
TPSA41.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol 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

1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]azepane
CID 82564798
2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol
CID 82565137
N,1-dimethyl-N-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine
CID 82564925
1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
CID 82565018
2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol
CID 82565073
1-(3-fluoropiperidin-4-yl)-4-methylpiperidine
CID 165469156
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine
CID 82564799
N-methyl-N-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-amine
CID 82565117
tert-butyl 4-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate
CID 82565214
N,N-dimethyl-1-(4-methylpiperidin-3-yl)piperidin-4-amine
CID 66271353
2-[4-(2-methylpiperazin-1-yl)piperazin-1-yl]ethanol
CID 68815789

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol (CID 82564927) is 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol is CC1CCN(C2CNCCC2CN2CCN(CCO)CC2)CC1.
What is the InChIKey of 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is JLDHSIZYDYXOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-16-3-6-22(7-4-16)18-14-19-5-2-17(18)15-21-10-8-20(9-11-21)12-13-23/h16-19,23H,2-15H2,1H3.
What are the key properties of 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 324.51 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 82564927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).