3-(4-propylpiperazin-1-ium-1-yl)propanoate

C10H20N2O2 — CID 29040460

IUPAC3-(4-propylpiperazin-1-ium-1-yl)propanoate
SMILESCCCN1CC[NH+](CCC(=O)[O-])CC1
InChIInChI=1S/C10H20N2O2/c1-2-4-11-6-8-12(9-7-11)5-3-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyBFCSRZZSIYZEDP-UHFFFAOYSA-N
MW200.28 g/mol
LogP-2.26
Rot. Bonds5

About 3-(4-propylpiperazin-1-ium-1-yl)propanoate

3-(4-propylpiperazin-1-ium-1-yl)propanoate (PubChem CID 29040460) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(4-propylpiperazin-1-ium-1-yl)propanoate.

Molecular Properties

Compound Name3-(4-propylpiperazin-1-ium-1-yl)propanoate
PubChem CID29040460
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(4-propylpiperazin-1-ium-1-yl)propanoate
SMILESCCCN1CC[NH+](CCC(=O)[O-])CC1
InChIInChI=1S/C10H20N2O2/c1-2-4-11-6-8-12(9-7-11)5-3-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyBFCSRZZSIYZEDP-UHFFFAOYSA-N
XLogP-2.26
TPSA47.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-2.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylpiperazin-1-ium-1-yl)pentanoate
CID 28972297
3-(4-methylpiperazin-4-ium-1-yl)propanoate
CID 51589872
3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate
CID 7023645
2-[4,7-bis(carboxylatomethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 21301798
3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate
CID 7059197
1-hexyl-3-methylimidazolidin-1-ium acetate
CID 162325421
butanoate;1-methylpiperidin-1-ium
CID 67303574
1-butylpyrrolidin-1-ium acetate
CID 118062280
tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)
CID 173154701
1-decylpyrrolidin-1-ium acetate
CID 171569626
1-(4-propylpiperazin-1-yl)ethanone;tungsten
CID 59834183
4-propylpiperazine-1-carboxamide
CID 16792615

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylpiperazin-1-ium-1-yl)propanoate?
The IUPAC name of 3-(4-propylpiperazin-1-ium-1-yl)propanoate (CID 29040460) is 3-(4-propylpiperazin-1-ium-1-yl)propanoate.
What is the SMILES notation for 3-(4-propylpiperazin-1-ium-1-yl)propanoate?
The canonical SMILES for 3-(4-propylpiperazin-1-ium-1-yl)propanoate is CCCN1CC[NH+](CCC(=O)[O-])CC1.
What is the InChIKey of 3-(4-propylpiperazin-1-ium-1-yl)propanoate?
The InChIKey is BFCSRZZSIYZEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-4-11-6-8-12(9-7-11)5-3-10(13)14/h2-9H2,1H3,(H,13,14).
What are the key properties of 3-(4-propylpiperazin-1-ium-1-yl)propanoate?
3-(4-propylpiperazin-1-ium-1-yl)propanoate has a molecular weight of 200.28 g/mol, XLogP of -2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylpiperazin-1-ium-1-yl)propanoate is sourced from PubChem (CID 29040460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).