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

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Related Compounds

2-[3-(Propan-2-yl)piperazin-1-yl]ethan-1-ol
CID 82668438
2-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]ethanol
CID 39223124
1-Piperazineethanol, 4-(3S)-3-pyrrolidinyl-
CID 39223128
2-(2-Tert-butylpiperazin-1-yl)ethanol
CID 53636375
2-[Ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
2-(4-Pyrrolidin-3-ylpiperazin-1-yl)ethanol
CID 56831619
2-[(1-Propan-2-ylpyrrolidin-3-yl)amino]ethanol
CID 59682590
[(2S,5R)-1-methyl-5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol
CID 60091478
2-[Propyl(pyrrolidin-3-yl)amino]ethanol
CID 63304293
2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide
CID 66987376
[5-(Pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol
CID 70011571
2-[2-(1-Aminoethyl)piperazin-1-yl]ethanol
CID 70356773

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).