methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate

C14H21N3O2 — CID 80703579

IUPACmethyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(c2cc(C)ccn2)CC1
InChIInChI=1S/C14H21N3O2/c1-12-3-5-15-13(11-12)17-9-7-16(8-10-17)6-4-14(18)19-2/h3,5,11H,4,6-10H2,1-2H3
InChIKeyVMZGXVUIKMJGNB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.08
Rot. Bonds4

About methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate

methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate (PubChem CID 80703579) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
PubChem CID80703579
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(c2cc(C)ccn2)CC1
InChIInChI=1S/C14H21N3O2/c1-12-3-5-15-13(11-12)17-9-7-16(8-10-17)6-4-14(18)19-2/h3,5,11H,4,6-10H2,1-2H3
InChIKeyVMZGXVUIKMJGNB-UHFFFAOYSA-N
XLogP1.08
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate (CID 80703579) is methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(c2cc(C)ccn2)CC1.
What is the InChIKey of methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate?
The InChIKey is VMZGXVUIKMJGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12-3-5-15-13(11-12)17-9-7-16(8-10-17)6-4-14(18)19-2/h3,5,11H,4,6-10H2,1-2H3.
What are the key properties of methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate?
methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate has a molecular weight of 263.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 80703579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).