methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride

C10H22Cl2N2O2 — CID 122164250

IUPACmethyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride
SMILESCOC(=O)CCN1CCC(CN)CC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-14-10(13)4-7-12-5-2-9(8-11)3-6-12;;/h9H,2-8,11H2,1H3;2*1H
InChIKeyVCJMCNVXOBICKC-UHFFFAOYSA-N
MW273.20 g/mol
LogP1.06
Rot. Bonds4

About methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride

methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride (PubChem CID 122164250) has the molecular formula C10H22Cl2N2O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride
PubChem CID122164250
Molecular FormulaC10H22Cl2N2O2
Molecular Weight273.20 g/mol
Exact Mass272.11
IUPAC Namemethyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride
SMILESCOC(=O)CCN1CCC(CN)CC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-14-10(13)4-7-12-5-2-9(8-11)3-6-12;;/h9H,2-8,11H2,1H3;2*1H
InChIKeyVCJMCNVXOBICKC-UHFFFAOYSA-N
XLogP1.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride?
The IUPAC name of methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride (CID 122164250) is methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride.
What is the SMILES notation for methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride?
The canonical SMILES for methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride is COC(=O)CCN1CCC(CN)CC1.Cl.Cl.
What is the InChIKey of methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride?
The InChIKey is VCJMCNVXOBICKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.2ClH/c1-14-10(13)4-7-12-5-2-9(8-11)3-6-12;;/h9H,2-8,11H2,1H3;2*1H.
What are the key properties of methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride?
methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride has a molecular weight of 273.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(aminomethyl)piperidin-1-yl]propanoate;dihydrochloride is sourced from PubChem (CID 122164250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).