1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine

C17H34N2 — CID 174290244

IUPAC1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine
SMILESCCC/C=C\CCC(CCC)CN1CCN(C)CC1
InChIInChI=1S/C17H34N2/c1-4-6-7-8-9-11-17(10-5-2)16-19-14-12-18(3)13-15-19/h7-8,17H,4-6,9-16H2,1-3H3/b8-7-
InChIKeyKEKSUJSAHAUEAE-FPLPWBNLSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds9

About 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine

1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine (PubChem CID 174290244) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine
PubChem CID174290244
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine
SMILESCCC/C=C\CCC(CCC)CN1CCN(C)CC1
InChIInChI=1S/C17H34N2/c1-4-6-7-8-9-11-17(10-5-2)16-19-14-12-18(3)13-15-19/h7-8,17H,4-6,9-16H2,1-3H3/b8-7-
InChIKeyKEKSUJSAHAUEAE-FPLPWBNLSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine?
The IUPAC name of 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine (CID 174290244) is 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine?
The canonical SMILES for 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine is CCC/C=C\CCC(CCC)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine?
The InChIKey is KEKSUJSAHAUEAE-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-6-7-8-9-11-17(10-5-2)16-19-14-12-18(3)13-15-19/h7-8,17H,4-6,9-16H2,1-3H3/b8-7-.
What are the key properties of 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine?
1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine is sourced from PubChem (CID 174290244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).