ethane;1-methyl-4-pentylpiperazine

C14H34N2 — CID 145099418

IUPACethane;1-methyl-4-pentylpiperazine
SMILESCC.CC.CCCCCN1CCN(C)CC1
InChIInChI=1S/C10H22N2.2C2H6/c1-3-4-5-6-12-9-7-11(2)8-10-12;2*1-2/h3-10H2,1-2H3;2*1-2H3
InChIKeyRTQNMTSPINNYOH-UHFFFAOYSA-N
MW230.44 g/mol
LogP3.48
Rot. Bonds4

About ethane;1-methyl-4-pentylpiperazine

ethane;1-methyl-4-pentylpiperazine (PubChem CID 145099418) has the molecular formula C14H34N2 and a molecular weight of 230.44 g/mol. Its IUPAC name is ethane;1-methyl-4-pentylpiperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-pentylpiperazine
PubChem CID145099418
Molecular FormulaC14H34N2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC Nameethane;1-methyl-4-pentylpiperazine
SMILESCC.CC.CCCCCN1CCN(C)CC1
InChIInChI=1S/C10H22N2.2C2H6/c1-3-4-5-6-12-9-7-11(2)8-10-12;2*1-2/h3-10H2,1-2H3;2*1-2H3
InChIKeyRTQNMTSPINNYOH-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-pentylpiperazine?
The IUPAC name of ethane;1-methyl-4-pentylpiperazine (CID 145099418) is ethane;1-methyl-4-pentylpiperazine.
What is the SMILES notation for ethane;1-methyl-4-pentylpiperazine?
The canonical SMILES for ethane;1-methyl-4-pentylpiperazine is CC.CC.CCCCCN1CCN(C)CC1.
What is the InChIKey of ethane;1-methyl-4-pentylpiperazine?
The InChIKey is RTQNMTSPINNYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.2C2H6/c1-3-4-5-6-12-9-7-11(2)8-10-12;2*1-2/h3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-pentylpiperazine?
ethane;1-methyl-4-pentylpiperazine has a molecular weight of 230.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-pentylpiperazine is sourced from PubChem (CID 145099418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).