2-methylidene-1-pentylpiperazine

C10H20N2 — CID 174894948

IUPAC2-methylidene-1-pentylpiperazine
SMILESC=C1CNCCN1CCCCC
InChIInChI=1S/C10H20N2/c1-3-4-5-7-12-8-6-11-9-10(12)2/h11H,2-9H2,1H3
InChIKeyGBHYFHYHVUGDMU-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.60
Rot. Bonds4

About 2-methylidene-1-pentylpiperazine

2-methylidene-1-pentylpiperazine (PubChem CID 174894948) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methylidene-1-pentylpiperazine.

Molecular Properties

Compound Name2-methylidene-1-pentylpiperazine
PubChem CID174894948
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methylidene-1-pentylpiperazine
SMILESC=C1CNCCN1CCCCC
InChIInChI=1S/C10H20N2/c1-3-4-5-7-12-8-6-11-9-10(12)2/h11H,2-9H2,1H3
InChIKeyGBHYFHYHVUGDMU-UHFFFAOYSA-N
XLogP1.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-pentylpiperazine?
The IUPAC name of 2-methylidene-1-pentylpiperazine (CID 174894948) is 2-methylidene-1-pentylpiperazine.
What is the SMILES notation for 2-methylidene-1-pentylpiperazine?
The canonical SMILES for 2-methylidene-1-pentylpiperazine is C=C1CNCCN1CCCCC.
What is the InChIKey of 2-methylidene-1-pentylpiperazine?
The InChIKey is GBHYFHYHVUGDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-5-7-12-8-6-11-9-10(12)2/h11H,2-9H2,1H3.
What are the key properties of 2-methylidene-1-pentylpiperazine?
2-methylidene-1-pentylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-pentylpiperazine is sourced from PubChem (CID 174894948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).