ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride

C16H32Cl2N2O2 — CID 169290078

IUPACethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride
SMILESCCOC(=O)C(C)(C)N1CCCC(C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H30N2O2.2ClH/c1-4-20-15(19)16(2,3)18-11-5-6-14(12-18)13-7-9-17-10-8-13;;/h13-14,17H,4-12H2,1-3H3;2*1H
InChIKeyFZROZXIKROQTHO-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.88
Rot. Bonds4

About ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride

ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride (PubChem CID 169290078) has the molecular formula C16H32Cl2N2O2 and a molecular weight of 355.35 g/mol. Its IUPAC name is ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride
PubChem CID169290078
Molecular FormulaC16H32Cl2N2O2
Molecular Weight355.35 g/mol
Exact Mass354.18
IUPAC Nameethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride
SMILESCCOC(=O)C(C)(C)N1CCCC(C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H30N2O2.2ClH/c1-4-20-15(19)16(2,3)18-11-5-6-14(12-18)13-7-9-17-10-8-13;;/h13-14,17H,4-12H2,1-3H3;2*1H
InChIKeyFZROZXIKROQTHO-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride?
The IUPAC name of ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride (CID 169290078) is ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride.
What is the SMILES notation for ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride?
The canonical SMILES for ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride is CCOC(=O)C(C)(C)N1CCCC(C2CCNCC2)C1.Cl.Cl.
What is the InChIKey of ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride?
The InChIKey is FZROZXIKROQTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.2ClH/c1-4-20-15(19)16(2,3)18-11-5-6-14(12-18)13-7-9-17-10-8-13;;/h13-14,17H,4-12H2,1-3H3;2*1H.
What are the key properties of ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride?
ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride has a molecular weight of 355.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride is sourced from PubChem (CID 169290078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).