methyl 3-(4-aminopiperidin-1-yl)propanoate

C9H18N2O2 — CID 18969347

IUPACmethyl 3-(4-aminopiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)4-7-11-5-2-8(10)3-6-11/h8H,2-7,10H2,1H3
InChIKeyUFBTXLYSKBFDJJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds3

About methyl 3-(4-aminopiperidin-1-yl)propanoate

methyl 3-(4-aminopiperidin-1-yl)propanoate (PubChem CID 18969347) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 3-(4-aminopiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-aminopiperidin-1-yl)propanoate
PubChem CID18969347
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 3-(4-aminopiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)4-7-11-5-2-8(10)3-6-11/h8H,2-7,10H2,1H3
InChIKeyUFBTXLYSKBFDJJ-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(4-aminopiperidin-1-yl)propanoate dihydrochloride
CID 57436991
Methyl 3-(3-methylpiperazin-1-yl)propanoate
CID 65449770
Methyl 2-amino-3-(piperidin-1-yl)propanoate dihydrochloride
CID 110209420
Methyl 2,2-dimethyl-3-[(piperidin-4-yl)amino]propanoate
CID 139022432
Methyl 1-(piperidin-4-yl)azetidine-3-carboxylate dihydrochloride
CID 165687742
Methyl 3-(2-methylpiperidin-1-yl)propanoate
CID 416350
Methyl 2-(4-aminopiperidin-1-yl)acetate
CID 11435206
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
CID 153362097
Methyl 1-(piperidin-4-yl)azetidine-3-carboxylate
CID 156620432
Methyl 2-amino-3-(piperidin-1-yl)propanoate
CID 10988984
Methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
CID 43774757
Ethyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
CID 61961756

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-aminopiperidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-aminopiperidin-1-yl)propanoate (CID 18969347) is methyl 3-(4-aminopiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-aminopiperidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-aminopiperidin-1-yl)propanoate is COC(=O)CCN1CCC(N)CC1.
What is the InChIKey of methyl 3-(4-aminopiperidin-1-yl)propanoate?
The InChIKey is UFBTXLYSKBFDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-9(12)4-7-11-5-2-8(10)3-6-11/h8H,2-7,10H2,1H3.
What are the key properties of methyl 3-(4-aminopiperidin-1-yl)propanoate?
methyl 3-(4-aminopiperidin-1-yl)propanoate has a molecular weight of 186.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-aminopiperidin-1-yl)propanoate is sourced from PubChem (CID 18969347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).