1-heptan-2-ylpiperazine

C11H24N2 — CID 61464712

IUPAC1-heptan-2-ylpiperazine
SMILESCCCCCC(C)N1CCNCC1
InChIInChI=1S/C11H24N2/c1-3-4-5-6-11(2)13-9-7-12-8-10-13/h11-12H,3-10H2,1-2H3
InChIKeyXJCCOJFOMZJFAX-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds5

About 1-heptan-2-ylpiperazine

1-heptan-2-ylpiperazine (PubChem CID 61464712) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-heptan-2-ylpiperazine.

Molecular Properties

Compound Name1-heptan-2-ylpiperazine
PubChem CID61464712
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-heptan-2-ylpiperazine
SMILESCCCCCC(C)N1CCNCC1
InChIInChI=1S/C11H24N2/c1-3-4-5-6-11(2)13-9-7-12-8-10-13/h11-12H,3-10H2,1-2H3
InChIKeyXJCCOJFOMZJFAX-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
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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Related Compounds

1-octan-2-yl-1,4-diazepane
CID 61057071
1-hexan-2-yl-1,5-diazocane
CID 62200653
cyanamide;cyclopentane;1-hexan-2-ylpiperazine
CID 143761748
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
1-dodecan-2-ylpyrrolidine
CID 70871228
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine
CID 171308963
1-heptan-2-yl-3-propylpiperazine
CID 64924539
3-nonan-2-yl-1,3-oxazetidine
CID 134510422
3-cyclopropyl-1-octan-2-ylpiperazine
CID 64925345
1-(4-methylsulfanylbutan-2-yl)piperazine
CID 112703762
1-[4-(4-propylphenyl)butan-2-yl]piperazine
CID 116931952

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-ylpiperazine?
The IUPAC name of 1-heptan-2-ylpiperazine (CID 61464712) is 1-heptan-2-ylpiperazine.
What is the SMILES notation for 1-heptan-2-ylpiperazine?
The canonical SMILES for 1-heptan-2-ylpiperazine is CCCCCC(C)N1CCNCC1.
What is the InChIKey of 1-heptan-2-ylpiperazine?
The InChIKey is XJCCOJFOMZJFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-4-5-6-11(2)13-9-7-12-8-10-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-heptan-2-ylpiperazine?
1-heptan-2-ylpiperazine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-ylpiperazine is sourced from PubChem (CID 61464712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).