1-methyl-4-(3-pentylnonyl)piperazine

C19H40N2 — CID 126576998

IUPAC1-methyl-4-(3-pentylnonyl)piperazine
SMILESCCCCCCC(CCCCC)CCN1CCN(C)CC1
InChIInChI=1S/C19H40N2/c1-4-6-8-10-12-19(11-9-7-5-2)13-14-21-17-15-20(3)16-18-21/h19H,4-18H2,1-3H3
InChIKeyICFXJKBPLOJELB-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.79
Rot. Bonds12

About 1-methyl-4-(3-pentylnonyl)piperazine

1-methyl-4-(3-pentylnonyl)piperazine (PubChem CID 126576998) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-methyl-4-(3-pentylnonyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-pentylnonyl)piperazine
PubChem CID126576998
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-methyl-4-(3-pentylnonyl)piperazine
SMILESCCCCCCC(CCCCC)CCN1CCN(C)CC1
InChIInChI=1S/C19H40N2/c1-4-6-8-10-12-19(11-9-7-5-2)13-14-21-17-15-20(3)16-18-21/h19H,4-18H2,1-3H3
InChIKeyICFXJKBPLOJELB-UHFFFAOYSA-N
XLogP4.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.79
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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Related Compounds

1-(3-pentylundecyl)pyrrolidine
CID 130279564
1-(3-pentyldecyl)pyrrolidine
CID 130279619
1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
CID 118890154
acetylene;1-methyl-4-octylpiperazine
CID 144712197
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-(4-pentylnonyl)piperidine
CID 68557490
7-pentyltricosane
CID 90879409
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
9-octyloctadecane
CID 54267850
8-pentylheptadecane
CID 90754347
7-pentylheptadecane
CID 528528

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-pentylnonyl)piperazine?
The IUPAC name of 1-methyl-4-(3-pentylnonyl)piperazine (CID 126576998) is 1-methyl-4-(3-pentylnonyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-pentylnonyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-pentylnonyl)piperazine is CCCCCCC(CCCCC)CCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(3-pentylnonyl)piperazine?
The InChIKey is ICFXJKBPLOJELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-4-6-8-10-12-19(11-9-7-5-2)13-14-21-17-15-20(3)16-18-21/h19H,4-18H2,1-3H3.
What are the key properties of 1-methyl-4-(3-pentylnonyl)piperazine?
1-methyl-4-(3-pentylnonyl)piperazine has a molecular weight of 296.54 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-pentylnonyl)piperazine is sourced from PubChem (CID 126576998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).