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

C13H28ClN3O — CID 120849803

IUPAC2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
SMILESCC1CN(CC2CCCNC2)CCN1CCO.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-12-10-15(5-6-16(12)7-8-17)11-13-3-2-4-14-9-13;/h12-14,17H,2-11H2,1H3;1H
InChIKeyQKFWSLYVYFKQGF-UHFFFAOYSA-N
MW277.84 g/mol
LogP0.41
Rot. Bonds4

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

2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride (PubChem CID 120849803) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is 2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
PubChem CID120849803
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC Name2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
SMILESCC1CN(CC2CCCNC2)CCN1CCO.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-12-10-15(5-6-16(12)7-8-17)11-13-3-2-4-14-9-13;/h12-14,17H,2-11H2,1H3;1H
InChIKeyQKFWSLYVYFKQGF-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-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974
1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
CID 120848946
6-methyl-4-(piperidin-3-ylmethyl)-1,4-thiazepane;hydrochloride
CID 120853474
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol
CID 119931535

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride (CID 120849803) is 2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride is CC1CN(CC2CCCNC2)CCN1CCO.Cl.
What is the InChIKey of 2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is QKFWSLYVYFKQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c1-12-10-15(5-6-16(12)7-8-17)11-13-3-2-4-14-9-13;/h12-14,17H,2-11H2,1H3;1H.
What are the key properties of 2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride?
2-[2-methyl-4-(piperidin-3-ylmethyl)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-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 120849803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).