2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol

C12H26N2O2 — CID 66169642

IUPAC2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol
SMILESCC(NCC(C)(O)CO)C1CCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-10(13-8-12(2,16)9-15)11-4-6-14(3)7-5-11/h10-11,13,15-16H,4-9H2,1-3H3
InChIKeyPZBHZXOAZVCWQC-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.05
Rot. Bonds5

About 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol

2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol (PubChem CID 66169642) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol
PubChem CID66169642
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol
SMILESCC(NCC(C)(O)CO)C1CCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-10(13-8-12(2,16)9-15)11-4-6-14(3)7-5-11/h10-11,13,15-16H,4-9H2,1-3H3
InChIKeyPZBHZXOAZVCWQC-UHFFFAOYSA-N
XLogP0.05
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
2-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
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1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol
CID 66092706
1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
CID 113260466
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
1-[1-(1-ethylpiperidin-4-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 106249309
ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol
CID 106250980
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol (CID 66169642) is 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol is CC(NCC(C)(O)CO)C1CCN(C)CC1.
What is the InChIKey of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol?
The InChIKey is PZBHZXOAZVCWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(13-8-12(2,16)9-15)11-4-6-14(3)7-5-11/h10-11,13,15-16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol?
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol has a molecular weight of 230.35 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66169642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).