3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol

C13H28N2O — CID 66092706

IUPAC3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol
SMILESCC(CCO)CNC(C)C1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(6-9-16)10-14-12(2)13-4-7-15(3)8-5-13/h11-14,16H,4-10H2,1-3H3
InChIKeyNGXPHHNQXNSXQA-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.32
Rot. Bonds6

About 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol

3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol (PubChem CID 66092706) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol
PubChem CID66092706
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol
SMILESCC(CCO)CNC(C)C1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(6-9-16)10-14-12(2)13-4-7-15(3)8-5-13/h11-14,16H,4-10H2,1-3H3
InChIKeyNGXPHHNQXNSXQA-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclopropylethylamino)-3-methylbutan-1-ol
CID 66089907
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993042
1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
CID 113260466
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile
CID 62648155
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol
CID 66169642
4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol
CID 115725095
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79351441
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol?
The IUPAC name of 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol (CID 66092706) is 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol is CC(CCO)CNC(C)C1CCN(C)CC1.
What is the InChIKey of 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol?
The InChIKey is NGXPHHNQXNSXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(6-9-16)10-14-12(2)13-4-7-15(3)8-5-13/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol?
3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 66092706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).