ethane;1-(5-ethoxypentyl)-4-pentylpiperazine

C18H40N2O — CID 142365396

IUPACethane;1-(5-ethoxypentyl)-4-pentylpiperazine
SMILESCC.CCCCCN1CCN(CCCCCOCC)CC1
InChIInChI=1S/C16H34N2O.C2H6/c1-3-5-7-10-17-12-14-18(15-13-17)11-8-6-9-16-19-4-2;1-2/h3-16H2,1-2H3;1-2H3
InChIKeyAHHNBXGASUVAHQ-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.03
Rot. Bonds11

About ethane;1-(5-ethoxypentyl)-4-pentylpiperazine

ethane;1-(5-ethoxypentyl)-4-pentylpiperazine (PubChem CID 142365396) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is ethane;1-(5-ethoxypentyl)-4-pentylpiperazine.

Molecular Properties

Compound Nameethane;1-(5-ethoxypentyl)-4-pentylpiperazine
PubChem CID142365396
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Nameethane;1-(5-ethoxypentyl)-4-pentylpiperazine
SMILESCC.CCCCCN1CCN(CCCCCOCC)CC1
InChIInChI=1S/C16H34N2O.C2H6/c1-3-5-7-10-17-12-14-18(15-13-17)11-8-6-9-16-19-4-2;1-2/h3-16H2,1-2H3;1-2H3
InChIKeyAHHNBXGASUVAHQ-UHFFFAOYSA-N
XLogP4.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
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CID 140684108
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
4-(4-ethoxybutyl)morpholine
CID 10726253
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-ethoxypentyl)-4-pentylpiperazine?
The IUPAC name of ethane;1-(5-ethoxypentyl)-4-pentylpiperazine (CID 142365396) is ethane;1-(5-ethoxypentyl)-4-pentylpiperazine.
What is the SMILES notation for ethane;1-(5-ethoxypentyl)-4-pentylpiperazine?
The canonical SMILES for ethane;1-(5-ethoxypentyl)-4-pentylpiperazine is CC.CCCCCN1CCN(CCCCCOCC)CC1.
What is the InChIKey of ethane;1-(5-ethoxypentyl)-4-pentylpiperazine?
The InChIKey is AHHNBXGASUVAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O.C2H6/c1-3-5-7-10-17-12-14-18(15-13-17)11-8-6-9-16-19-4-2;1-2/h3-16H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(5-ethoxypentyl)-4-pentylpiperazine?
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine has a molecular weight of 300.53 g/mol, XLogP of 4.03, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-ethoxypentyl)-4-pentylpiperazine is sourced from PubChem (CID 142365396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).