2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol

C13H28N2O — CID 114491238

IUPAC2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
SMILESCCC(C)(O)CN1CCCCC1C(C)NC
InChIInChI=1S/C13H28N2O/c1-5-13(3,16)10-15-9-7-6-8-12(15)11(2)14-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGPZFPTHVBVXGKM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds5

About 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol

2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol (PubChem CID 114491238) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
PubChem CID114491238
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
SMILESCCC(C)(O)CN1CCCCC1C(C)NC
InChIInChI=1S/C13H28N2O/c1-5-13(3,16)10-15-9-7-6-8-12(15)11(2)14-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGPZFPTHVBVXGKM-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol (CID 114491238) is 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol is CCC(C)(O)CN1CCCCC1C(C)NC.
What is the InChIKey of 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol?
The InChIKey is GPZFPTHVBVXGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(3,16)10-15-9-7-6-8-12(15)11(2)14-4/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol?
2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 114491238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).