2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid

C13H24N2O2 — CID 116825117

IUPAC2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid
SMILESCN1CCCC(C(C(=O)O)C2CCNCC2)C1
InChIInChI=1S/C13H24N2O2/c1-15-8-2-3-11(9-15)12(13(16)17)10-4-6-14-7-5-10/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyPKNPRBTVZBWGDF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.03
Rot. Bonds3

About 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid

2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid (PubChem CID 116825117) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid
PubChem CID116825117
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid
SMILESCN1CCCC(C(C(=O)O)C2CCNCC2)C1
InChIInChI=1S/C13H24N2O2/c1-15-8-2-3-11(9-15)12(13(16)17)10-4-6-14-7-5-10/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyPKNPRBTVZBWGDF-UHFFFAOYSA-N
XLogP1.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate
CID 116825136
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
CID 117234729
(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine
CID 116935927
N-(1-methylpiperidin-3-yl)-3-piperidin-4-ylpropanamide
CID 62209904
(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 124668280
2-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]propanoic acid
CID 116684656
2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
CID 57188850
2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride
CID 115044508
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid (CID 116825117) is 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid is CN1CCCC(C(C(=O)O)C2CCNCC2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid?
The InChIKey is PKNPRBTVZBWGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15-8-2-3-11(9-15)12(13(16)17)10-4-6-14-7-5-10/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid?
2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid has a molecular weight of 240.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid is sourced from PubChem (CID 116825117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).