1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid

C20H30N2O3 — CID 138003930

IUPAC1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1C1CN(CCCN2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C20H30N2O3/c1-16-5-2-3-6-18(16)19-15-22(13-14-25-19)10-4-9-21-11-7-17(8-12-21)20(23)24/h2-3,5-6,17,19H,4,7-15H2,1H3,(H,23,24)
InChIKeyCGKWDZKGWNDKNN-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.56
Rot. Bonds6

About 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid

1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid (PubChem CID 138003930) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid
PubChem CID138003930
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1C1CN(CCCN2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C20H30N2O3/c1-16-5-2-3-6-18(16)19-15-22(13-14-25-19)10-4-9-21-11-7-17(8-12-21)20(23)24/h2-3,5-6,17,19H,4,7-15H2,1H3,(H,23,24)
InChIKeyCGKWDZKGWNDKNN-UHFFFAOYSA-N
XLogP2.56
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methylphenyl)morpholin-4-yl]propan-1-ol
CID 111462348
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
N'-methyl-2-(2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109481456
3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
1-[3-(2,6-dimethylphenoxy)propyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907743
methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
CID 91653639
N-(3,4-dichlorophenyl)-2-[2-(2-methylphenyl)morpholin-4-yl]acetamide
CID 146075464
N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109480237
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
CID 95341250
3-[2-[4-(1,3-diphenylpropoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 152762805

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid (CID 138003930) is 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid is Cc1ccccc1C1CN(CCCN2CCC(C(=O)O)CC2)CCO1.
What is the InChIKey of 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid?
The InChIKey is CGKWDZKGWNDKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16-5-2-3-6-18(16)19-15-22(13-14-25-19)10-4-9-21-11-7-17(8-12-21)20(23)24/h2-3,5-6,17,19H,4,7-15H2,1H3,(H,23,24).
What are the key properties of 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid?
1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid has a molecular weight of 346.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 138003930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).