sodium 3-(1-methylpiperidin-2-yl)propanoate

C9H16NNaO2 — CID 172639720

IUPACsodium 3-(1-methylpiperidin-2-yl)propanoate
SMILESCN1CCCCC1CCC(=O)[O-].[Na+]
InChIInChI=1S/C9H17NO2.Na/c1-10-7-3-2-4-8(10)5-6-9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyLFAAEUOHYVDPBY-UHFFFAOYSA-M
MW193.22 g/mol
LogP-3.00
Rot. Bonds3

About sodium 3-(1-methylpiperidin-2-yl)propanoate

sodium 3-(1-methylpiperidin-2-yl)propanoate (PubChem CID 172639720) has the molecular formula C9H16NNaO2 and a molecular weight of 193.22 g/mol. Its IUPAC name is sodium 3-(1-methylpiperidin-2-yl)propanoate.

Molecular Properties

Compound Namesodium 3-(1-methylpiperidin-2-yl)propanoate
PubChem CID172639720
Molecular FormulaC9H16NNaO2
Molecular Weight193.22 g/mol
Exact Mass193.11
IUPAC Namesodium 3-(1-methylpiperidin-2-yl)propanoate
SMILESCN1CCCCC1CCC(=O)[O-].[Na+]
InChIInChI=1S/C9H17NO2.Na/c1-10-7-3-2-4-8(10)5-6-9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyLFAAEUOHYVDPBY-UHFFFAOYSA-M
XLogP-3.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-3.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
CID 110855386
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid
CID 43441253
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811
3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid
CID 54926001
2-butyl-1-methylpiperidine;methanesulfonic acid
CID 175583536
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942
2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 60834292

Frequently Asked Questions

What is the IUPAC name of sodium 3-(1-methylpiperidin-2-yl)propanoate?
The IUPAC name of sodium 3-(1-methylpiperidin-2-yl)propanoate (CID 172639720) is sodium 3-(1-methylpiperidin-2-yl)propanoate.
What is the SMILES notation for sodium 3-(1-methylpiperidin-2-yl)propanoate?
The canonical SMILES for sodium 3-(1-methylpiperidin-2-yl)propanoate is CN1CCCCC1CCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(1-methylpiperidin-2-yl)propanoate?
The InChIKey is LFAAEUOHYVDPBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO2.Na/c1-10-7-3-2-4-8(10)5-6-9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 3-(1-methylpiperidin-2-yl)propanoate?
sodium 3-(1-methylpiperidin-2-yl)propanoate has a molecular weight of 193.22 g/mol, XLogP of -3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(1-methylpiperidin-2-yl)propanoate is sourced from PubChem (CID 172639720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).