1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine

C17H36N2 — CID 118887738

IUPAC1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine
SMILESCC[C@@H](CCCCN1CCNCC1)CCC(C)(C)C
InChIInChI=1S/C17H36N2/c1-5-16(9-10-17(2,3)4)8-6-7-13-19-14-11-18-12-15-19/h16,18H,5-15H2,1-4H3/t16-/m0/s1
InChIKeyLZRBDKDTMGWCDB-INIZCTEOSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds8

About 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine

1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine (PubChem CID 118887738) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine.

Molecular Properties

Compound Name1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine
PubChem CID118887738
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine
SMILESCC[C@@H](CCCCN1CCNCC1)CCC(C)(C)C
InChIInChI=1S/C17H36N2/c1-5-16(9-10-17(2,3)4)8-6-7-13-19-14-11-18-12-15-19/h16,18H,5-15H2,1-4H3/t16-/m0/s1
InChIKeyLZRBDKDTMGWCDB-INIZCTEOSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
CID 118887662
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol
CID 118890170
1-(8-methylnonyl)piperazine
CID 170614920
5-ethyl-2,2-dimethyltetradecane
CID 162426700
1-tricosylpiperazine
CID 130183651
6-ethyl-9,9-dimethyldecan-1-ol
CID 176971443
6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol
CID 123725712
ethane;1-octylpiperazine
CID 144711845
tert-butyl 2-amino-5-piperazin-1-ylpentanoate
CID 57355020
1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole
CID 118887732

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine?
The IUPAC name of 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine (CID 118887738) is 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine.
What is the SMILES notation for 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine?
The canonical SMILES for 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine is CC[C@@H](CCCCN1CCNCC1)CCC(C)(C)C.
What is the InChIKey of 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine?
The InChIKey is LZRBDKDTMGWCDB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-16(9-10-17(2,3)4)8-6-7-13-19-14-11-18-12-15-19/h16,18H,5-15H2,1-4H3/t16-/m0/s1.
What are the key properties of 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine?
1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine is sourced from PubChem (CID 118887738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).