butyl 9-piperazin-1-ylnonanoate

C17H34N2O2 — CID 155795088

IUPACbutyl 9-piperazin-1-ylnonanoate
SMILESCCCCOC(=O)CCCCCCCCN1CCNCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-16-21-17(20)10-8-6-4-5-7-9-13-19-14-11-18-12-15-19/h18H,2-16H2,1H3
InChIKeyOCMWOUVAKIQKSN-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.97
Rot. Bonds12

About butyl 9-piperazin-1-ylnonanoate

butyl 9-piperazin-1-ylnonanoate (PubChem CID 155795088) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is butyl 9-piperazin-1-ylnonanoate.

Molecular Properties

Compound Namebutyl 9-piperazin-1-ylnonanoate
PubChem CID155795088
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namebutyl 9-piperazin-1-ylnonanoate
SMILESCCCCOC(=O)CCCCCCCCN1CCNCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-16-21-17(20)10-8-6-4-5-7-9-13-19-14-11-18-12-15-19/h18H,2-16H2,1H3
InChIKeyOCMWOUVAKIQKSN-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 9-piperazin-1-ylnonanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-piperazin-1-ylheptanoate
CID 21477471
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
dibutyl heptadecanedioate
CID 87117348
butyl 3-(aziridin-1-yl)propanoate;methane
CID 160985577
butyl dodecanoate;stannane
CID 173127459
1-tricosylpiperazine
CID 130183651
butyl nonadecanoate
CID 3015296
butyl octadecanoate;stannane
CID 173304092
butyl pentacosanoate
CID 54548273
dodecyl 3-[(3-oxo-3-tetradecoxypropyl)-[2-(2-piperazin-1-ylethyldisulfanyl)ethyl]amino]propanoate
CID 171467661
2-piperidin-1-ylethyl heptadecanoate
CID 118631056
1-O-butyl 7-O-nonyl heptanedioate
CID 91732654

Frequently Asked Questions

What is the IUPAC name of butyl 9-piperazin-1-ylnonanoate?
The IUPAC name of butyl 9-piperazin-1-ylnonanoate (CID 155795088) is butyl 9-piperazin-1-ylnonanoate.
What is the SMILES notation for butyl 9-piperazin-1-ylnonanoate?
The canonical SMILES for butyl 9-piperazin-1-ylnonanoate is CCCCOC(=O)CCCCCCCCN1CCNCC1.
What is the InChIKey of butyl 9-piperazin-1-ylnonanoate?
The InChIKey is OCMWOUVAKIQKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-16-21-17(20)10-8-6-4-5-7-9-13-19-14-11-18-12-15-19/h18H,2-16H2,1H3.
What are the key properties of butyl 9-piperazin-1-ylnonanoate?
butyl 9-piperazin-1-ylnonanoate has a molecular weight of 298.47 g/mol, XLogP of 2.97, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 9-piperazin-1-ylnonanoate is sourced from PubChem (CID 155795088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).