2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride

C13H28ClN3O — CID 120904206

IUPAC2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
SMILESCC1CN(CC2(C)CCNC2)CCN1CCO.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-12-9-15(5-6-16(12)7-8-17)11-13(2)3-4-14-10-13;/h12,14,17H,3-11H2,1-2H3;1H
InChIKeyHDHMAAXJHFDAQT-UHFFFAOYSA-N
MW277.84 g/mol
LogP0.41
Rot. Bonds4

About 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride

2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride (PubChem CID 120904206) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
PubChem CID120904206
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC Name2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
SMILESCC1CN(CC2(C)CCNC2)CCN1CCO.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-12-9-15(5-6-16(12)7-8-17)11-13(2)3-4-14-10-13;/h12,14,17H,3-11H2,1-2H3;1H
InChIKeyHDHMAAXJHFDAQT-UHFFFAOYSA-N
XLogP0.41
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride 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-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
1,5-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120899791
(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554
5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride
CID 120903601
1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine
CID 114547129
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
[6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methanol;hydrochloride
CID 120904966
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609
2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 120849803

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride (CID 120904206) is 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride is CC1CN(CC2(C)CCNC2)CCN1CCO.Cl.
What is the InChIKey of 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is HDHMAAXJHFDAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c1-12-9-15(5-6-16(12)7-8-17)11-13(2)3-4-14-10-13;/h12,14,17H,3-11H2,1-2H3;1H.
What are the key properties of 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride?
2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 120904206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).