2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid

C9H18N2O2 — CID 65236604

IUPAC2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid
SMILESCNC1(CC(=O)O)CCN(C)CC1
InChIInChI=1S/C9H18N2O2/c1-10-9(7-8(12)13)3-5-11(2)6-4-9/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMIDYEVBPIXGBAQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.14
Rot. Bonds3

About 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid

2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid (PubChem CID 65236604) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid
PubChem CID65236604
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid
SMILESCNC1(CC(=O)O)CCN(C)CC1
InChIInChI=1S/C9H18N2O2/c1-10-9(7-8(12)13)3-5-11(2)6-4-9/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMIDYEVBPIXGBAQ-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid
CID 65236826
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid
CID 114820838
[1-methyl-3-(methylamino)pyrrolidin-3-yl]methanol
CID 62975688
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
3-[1-methyl-4-(methylamino)piperidin-4-yl]propanal
CID 153349353
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
2-[1-(methylamino)cyclohexyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 65240925
2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid
CID 115029203
1-[1-methyl-4-(methylamino)piperidin-4-yl]ethanone
CID 121279965
N-methyl-2-[1-(methylamino)cyclopropyl]acetamide
CID 123365560
2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498651

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid (CID 65236604) is 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid is CNC1(CC(=O)O)CCN(C)CC1.
What is the InChIKey of 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid?
The InChIKey is MIDYEVBPIXGBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-9(7-8(12)13)3-5-11(2)6-4-9/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid?
2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid has a molecular weight of 186.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid is sourced from PubChem (CID 65236604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).