2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine

C15H25N5O2 — CID 174801084

IUPAC2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine
SMILESO=C(O)CN1CCNCC1.c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H13N3.C6H12N2O2/c1-2-7-12(8-3-1)9-10-5-4-6-11-9;9-6(10)5-8-3-1-7-2-4-8/h4-6H,1-3,7-8H2;7H,1-5H2,(H,9,10)
InChIKeyILHZZKOZAGXAQA-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.44
Rot. Bonds3

About 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine

2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine (PubChem CID 174801084) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine
PubChem CID174801084
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine
SMILESO=C(O)CN1CCNCC1.c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H13N3.C6H12N2O2/c1-2-7-12(8-3-1)9-10-5-4-6-11-9;9-6(10)5-8-3-1-7-2-4-8/h4-6H,1-3,7-8H2;7H,1-5H2,(H,9,10)
InChIKeyILHZZKOZAGXAQA-UHFFFAOYSA-N
XLogP0.44
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride
CID 174800980
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
ethane;2-piperazin-1-ylacetic acid
CID 143723779
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
butane;2-piperazin-1-ylpyrimidine
CID 144912345
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
2-(1,5-diazocan-1-yl)acetic acid
CID 20839708
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine?
The IUPAC name of 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine (CID 174801084) is 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine?
The canonical SMILES for 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine is O=C(O)CN1CCNCC1.c1cnc(N2CCCCC2)nc1.
What is the InChIKey of 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine?
The InChIKey is ILHZZKOZAGXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.C6H12N2O2/c1-2-7-12(8-3-1)9-10-5-4-6-11-9;9-6(10)5-8-3-1-7-2-4-8/h4-6H,1-3,7-8H2;7H,1-5H2,(H,9,10).
What are the key properties of 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine?
2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine has a molecular weight of 307.40 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 174801084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).