2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid

C17H33N3O2 — CID 119149324

IUPAC2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)CCC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N3O2/c1-14(17(21)22)19(3)11-4-15-5-12-20(13-6-15)16-7-9-18(2)10-8-16/h14-16H,4-13H2,1-3H3,(H,21,22)
InChIKeyRXRZZWJPWMINDX-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.59
Rot. Bonds6

About 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid

2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid (PubChem CID 119149324) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid
PubChem CID119149324
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)CCC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N3O2/c1-14(17(21)22)19(3)11-4-15-5-12-20(13-6-15)16-7-9-18(2)10-8-16/h14-16H,4-13H2,1-3H3,(H,21,22)
InChIKeyRXRZZWJPWMINDX-UHFFFAOYSA-N
XLogP1.59
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride
CID 119903703
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol
CID 83835284
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158360
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115169549
2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65059979
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236412
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
2-amino-N,2-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 115152812

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid (CID 119149324) is 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid is CC(C(=O)O)N(C)CCC1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid?
The InChIKey is RXRZZWJPWMINDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14(17(21)22)19(3)11-4-15-5-12-20(13-6-15)16-7-9-18(2)10-8-16/h14-16H,4-13H2,1-3H3,(H,21,22).
What are the key properties of 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid?
2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid has a molecular weight of 311.47 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid is sourced from PubChem (CID 119149324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).