2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid

C12H23NO3 — CID 62689073

IUPAC2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
SMILESCC(C)OCCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-10(2)16-7-6-13-5-3-4-11(9-13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyNVKOSHUCAQYILA-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds6

About 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid

2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid (PubChem CID 62689073) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
PubChem CID62689073
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
SMILESCC(C)OCCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-10(2)16-7-6-13-5-3-4-11(9-13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyNVKOSHUCAQYILA-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid
CID 62691306
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]acetic acid
CID 79594109
2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
CID 155068611
N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914636
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
methyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
CID 78920654
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
CID 55105432
1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine
CID 153398953

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid (CID 62689073) is 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid is CC(C)OCCN1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid?
The InChIKey is NVKOSHUCAQYILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)16-7-6-13-5-3-4-11(9-13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid?
2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).