2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride

C12H27Cl2N3O — CID 53408908

IUPAC2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(CC2CCCCN2)CC1
InChIInChI=1S/C12H25N3O.2ClH/c16-10-9-14-5-7-15(8-6-14)11-12-3-1-2-4-13-12;;/h12-13,16H,1-11H2;2*1H
InChIKeyDQLBLEWHXJZNGU-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.58
Rot. Bonds4

About 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride

2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride (PubChem CID 53408908) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride
PubChem CID53408908
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(CC2CCCCN2)CC1
InChIInChI=1S/C12H25N3O.2ClH/c16-10-9-14-5-7-15(8-6-14)11-12-3-1-2-4-13-12;;/h12-13,16H,1-11H2;2*1H
InChIKeyDQLBLEWHXJZNGU-UHFFFAOYSA-N
XLogP0.58
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride 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-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 156593490
2-[4-[[(2S)-piperidin-2-yl]methyl]piperazin-1-yl]ethanol
CID 97109268
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
1-(piperidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55139612
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421
1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
CID 62992754
(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine
CID 70383224
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride (CID 53408908) is 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride is Cl.Cl.OCCN1CCN(CC2CCCCN2)CC1.
What is the InChIKey of 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride?
The InChIKey is DQLBLEWHXJZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c16-10-9-14-5-7-15(8-6-14)11-12-3-1-2-4-13-12;;/h12-13,16H,1-11H2;2*1H.
What are the key properties of 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride?
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 53408908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).