1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine

C15H31N3 — CID 142139915

IUPAC1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
SMILESCCN1CCN(CCCCN2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c1-2-16-12-14-18(15-13-16)11-7-6-10-17-8-4-3-5-9-17/h2-15H2,1H3
InChIKeyMELIMMCKRUPXFT-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.89
Rot. Bonds6

About 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine

1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine (PubChem CID 142139915) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
PubChem CID142139915
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
SMILESCCN1CCN(CCCCN2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c1-2-16-12-14-18(15-13-16)11-7-6-10-17-8-4-3-5-9-17/h2-15H2,1H3
InChIKeyMELIMMCKRUPXFT-UHFFFAOYSA-N
XLogP1.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.89
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-ethylpiperidine
CID 13007
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-ethylpiperidine;methane
CID 162133943
ethane;1-ethylpiperidine
CID 90845344
1,6-diethyl-1,6-diazecane
CID 172611513
1-ethyl-4-undecylpiperazine
CID 21399231
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
1-ethyl-4-heptylpiperazine
CID 21399221
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-tetradecylpiperidine;hydrochloride
CID 71325293

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine?
The IUPAC name of 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine (CID 142139915) is 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine?
The canonical SMILES for 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine is CCN1CCN(CCCCN2CCCCC2)CC1.
What is the InChIKey of 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine?
The InChIKey is MELIMMCKRUPXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-2-16-12-14-18(15-13-16)11-7-6-10-17-8-4-3-5-9-17/h2-15H2,1H3.
What are the key properties of 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine?
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine is sourced from PubChem (CID 142139915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).