1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid

C12H22N2O3 — CID 79182775

IUPAC1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCN1CCOC(CN2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H22N2O3/c1-13-6-7-17-11(8-13)9-14-4-2-10(3-5-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyCXZQMLAASACQPS-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.11
Rot. Bonds3

About 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid

1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 79182775) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID79182775
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCN1CCOC(CN2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H22N2O3/c1-13-6-7-17-11(8-13)9-14-4-2-10(3-5-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyCXZQMLAASACQPS-UHFFFAOYSA-N
XLogP0.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182827
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-4-yl]ethanamine
CID 79172349
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate
CID 78945334
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine
CID 115314333
7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79182011
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carboxylic acid
CID 113431091
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-3-yl]ethanol
CID 112734129

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid (CID 79182775) is 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid is CN1CCOC(CN2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is CXZQMLAASACQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-6-7-17-11(8-13)9-14-4-2-10(3-5-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid?
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 79182775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).