methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate

C15H30N2O2 — CID 79629128

IUPACmethyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCCCN1CCCCC1C
InChIInChI=1S/C15H30N2O2/c1-13-8-5-6-10-17(13)11-7-9-16-12-15(2,3)14(18)19-4/h13,16H,5-12H2,1-4H3
InChIKeyFHRCOXWIHJLAAF-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds7

About methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate

methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate (PubChem CID 79629128) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
PubChem CID79629128
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCCCN1CCCCC1C
InChIInChI=1S/C15H30N2O2/c1-13-8-5-6-10-17(13)11-7-9-16-12-15(2,3)14(18)19-4/h13,16H,5-12H2,1-4H3
InChIKeyFHRCOXWIHJLAAF-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
tert-butyl N-[3-[3-(2-methylpiperidin-1-yl)propylamino]propyl]carbamate
CID 103821611
N-carbamoyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179746
4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
CID 114209368
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 115428307
N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 103178390
2,2-dimethyl-4-[3-(2-methylpiperidin-1-yl)propylamino]-4-oxobutanoic acid
CID 65297461
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
N,N-diethyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179739

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate (CID 79629128) is methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate is COC(=O)C(C)(C)CNCCCN1CCCCC1C.
What is the InChIKey of methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate?
The InChIKey is FHRCOXWIHJLAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13-8-5-6-10-17(13)11-7-9-16-12-15(2,3)14(18)19-4/h13,16H,5-12H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate?
methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate is sourced from PubChem (CID 79629128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).