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

C9H20Cl2N2O2 — CID 57436991

IUPACmethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride
SMILESCOC(=O)CCN1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-13-9(12)4-7-11-5-2-8(10)3-6-11;;/h8H,2-7,10H2,1H3;2*1H
InChIKeyWOQSMSMXSRFZEX-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.82
Rot. Bonds3

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

methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride (PubChem CID 57436991) has the molecular formula C9H20Cl2N2O2 and a molecular weight of 259.18 g/mol. Its IUPAC name is methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride
PubChem CID57436991
Molecular FormulaC9H20Cl2N2O2
Molecular Weight259.18 g/mol
Exact Mass258.09
IUPAC Namemethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride
SMILESCOC(=O)CCN1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-13-9(12)4-7-11-5-2-8(10)3-6-11;;/h8H,2-7,10H2,1H3;2*1H
InChIKeyWOQSMSMXSRFZEX-UHFFFAOYSA-N
XLogP0.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl (4-amino-1-piperidinyl)acetate dihydrochloride
CID 44120477
Methyl 2-amino-3-(piperidin-1-yl)propanoate dihydrochloride
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Methyl 3-(4-(aminomethyl)piperidin-1-yl)propanoate dihydrochloride
CID 122164250
Methyl 2,2-dimethyl-3-[(piperidin-4-yl)amino]propanoate
CID 139022432
Methyl 1-(piperidin-4-yl)azetidine-3-carboxylate dihydrochloride
CID 165687742
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride
CID 177843089
Methyl 3-(4-aminopiperidin-1-yl)propanoate
CID 18969347
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride
CID 153362096
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
Methyl 3-(4-aminopiperidin-1-yl)-4,4,4-trifluorobutanoate
CID 83825507

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride?
The IUPAC name of methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride (CID 57436991) is methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride.
What is the SMILES notation for methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride?
The canonical SMILES for methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride is COC(=O)CCN1CCC(N)CC1.Cl.Cl.
What is the InChIKey of methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride?
The InChIKey is WOQSMSMXSRFZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.2ClH/c1-13-9(12)4-7-11-5-2-8(10)3-6-11;;/h8H,2-7,10H2,1H3;2*1H.
What are the key properties of methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride?
methyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 0.82, 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;dihydrochloride is sourced from PubChem (CID 57436991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).