2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid

C14H26N2O2 — CID 65498240

IUPAC2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid
SMILESCN1CCC(CN(C)CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-15-7-3-12(4-8-15)10-16(2)11-14(5-6-14)9-13(17)18/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyKEOCTVSQOLDDRE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.51
Rot. Bonds6

About 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid

2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid (PubChem CID 65498240) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid
PubChem CID65498240
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid
SMILESCN1CCC(CN(C)CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-15-7-3-12(4-8-15)10-16(2)11-14(5-6-14)9-13(17)18/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyKEOCTVSQOLDDRE-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopropyl]acetic acid
CID 65497799
[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115243609
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248494
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248496
methyl 1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247638
[1-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclobutyl]methanol
CID 115247057
[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol
CID 63745746
4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde
CID 55175195
2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498651

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid (CID 65498240) is 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid is CN1CCC(CN(C)CC2(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid?
The InChIKey is KEOCTVSQOLDDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-7-3-12(4-8-15)10-16(2)11-14(5-6-14)9-13(17)18/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid?
2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid has a molecular weight of 254.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).