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

C12H21NO3 — CID 65498439

IUPAC2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCOC1CCN(CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C12H21NO3/c1-16-10-2-6-13(7-3-10)9-12(4-5-12)8-11(14)15/h10H,2-9H2,1H3,(H,14,15)
InChIKeyKIDCEXYMRYCRSJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds5

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

2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 65498439) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID65498439
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCOC1CCN(CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C12H21NO3/c1-16-10-2-6-13(7-3-10)9-12(4-5-12)8-11(14)15/h10H,2-9H2,1H3,(H,14,15)
InChIKeyKIDCEXYMRYCRSJ-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]acetic acid
CID 103540468
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498651
2-[1-[(4-propan-2-ylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65497815
2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65498029
1-[(4-ethylpiperidin-4-yl)methyl]-4-methoxypiperidine
CID 55177605
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170
3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 55056174
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64700652
2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103536134
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
CID 64700651

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid (CID 65498439) is 2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid is COC1CCN(CC2(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is KIDCEXYMRYCRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-10-2-6-13(7-3-10)9-12(4-5-12)8-11(14)15/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).