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

C13H26N2O2 — CID 43174199

IUPACmethyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
SMILESCOC(=O)CCNCCCN1CCCCC1C
InChIInChI=1S/C13H26N2O2/c1-12-6-3-4-10-15(12)11-5-8-14-9-7-13(16)17-2/h12,14H,3-11H2,1-2H3
InChIKeyHBVMJWGAAKHGJT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

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

methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate (PubChem CID 43174199) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
PubChem CID43174199
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
SMILESCOC(=O)CCNCCCN1CCCCC1C
InChIInChI=1S/C13H26N2O2/c1-12-6-3-4-10-15(12)11-5-8-14-9-7-13(16)17-2/h12,14H,3-11H2,1-2H3
InChIKeyHBVMJWGAAKHGJT-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
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-(2-methylazepan-1-yl)propanoate;hydrochloride
CID 20846518
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 79629128
tert-butyl N-[3-[3-(2-methylpiperidin-1-yl)propylamino]propyl]carbamate
CID 103821611
N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 103178390
N-carbamoyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179746
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
CID 114209368
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43180624
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate?
The IUPAC name of methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate (CID 43174199) is methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate.
What is the SMILES notation for methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate?
The canonical SMILES for methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate is COC(=O)CCNCCCN1CCCCC1C.
What is the InChIKey of methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate?
The InChIKey is HBVMJWGAAKHGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12-6-3-4-10-15(12)11-5-8-14-9-7-13(16)17-2/h12,14H,3-11H2,1-2H3.
What are the key properties of methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate?
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate is sourced from PubChem (CID 43174199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).