3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid

C14H27N3O2 — CID 84755522

IUPAC3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
SMILESCCN1CCN(C2CCCN(CCC(=O)O)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-2-15-8-10-17(11-9-15)13-4-3-6-16(12-13)7-5-14(18)19/h13H,2-12H2,1H3,(H,18,19)
InChIKeyQBBKROMHJLMJPA-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.56
Rot. Bonds5

About 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid

3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid (PubChem CID 84755522) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
PubChem CID84755522
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
SMILESCCN1CCN(C2CCCN(CCC(=O)O)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-2-15-8-10-17(11-9-15)13-4-3-6-16(12-13)7-5-14(18)19/h13H,2-12H2,1H3,(H,18,19)
InChIKeyQBBKROMHJLMJPA-UHFFFAOYSA-N
XLogP0.56
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-2-one
CID 79943262
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
CID 95154053
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propanoic acid
CID 80553786
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylbutanoic acid
CID 79936530
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanethioamide
CID 79937809
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
3-[4-(thian-3-yl)piperazin-1-yl]propanoic acid
CID 65054384
3-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propanoic acid
CID 102549085
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-ethylpentanoic acid
CID 106806403

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid (CID 84755522) is 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid is CCN1CCN(C2CCCN(CCC(=O)O)C2)CC1.
What is the InChIKey of 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid?
The InChIKey is QBBKROMHJLMJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-15-8-10-17(11-9-15)13-4-3-6-16(12-13)7-5-14(18)19/h13H,2-12H2,1H3,(H,18,19).
What are the key properties of 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid?
3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 84755522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).