1-heptan-2-yl-3-propylpiperazine

C14H30N2 — CID 64924539

IUPAC1-heptan-2-yl-3-propylpiperazine
SMILESCCCCCC(C)N1CCNC(CCC)C1
InChIInChI=1S/C14H30N2/c1-4-6-7-9-13(3)16-11-10-15-14(12-16)8-5-2/h13-15H,4-12H2,1-3H3
InChIKeyXARKJZMDKRHHFC-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds7

About 1-heptan-2-yl-3-propylpiperazine

1-heptan-2-yl-3-propylpiperazine (PubChem CID 64924539) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-heptan-2-yl-3-propylpiperazine.

Molecular Properties

Compound Name1-heptan-2-yl-3-propylpiperazine
PubChem CID64924539
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-heptan-2-yl-3-propylpiperazine
SMILESCCCCCC(C)N1CCNC(CCC)C1
InChIInChI=1S/C14H30N2/c1-4-6-7-9-13(3)16-11-10-15-14(12-16)8-5-2/h13-15H,4-12H2,1-3H3
InChIKeyXARKJZMDKRHHFC-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
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-4-yl-3-propylpiperazine
CID 114138506
3-cyclopropyl-1-octan-2-ylpiperazine
CID 64925345
1-heptan-2-ylpiperazine
CID 61464712
3-benzyl-1-hexan-2-ylpiperazine
CID 64954753
3-propyl-1-(1-thiophen-2-ylethyl)piperazine
CID 64925498
3-ethyl-1-(4-methoxybutan-2-yl)piperazine
CID 64953453
3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390
1-octan-2-yl-1,4-diazepane
CID 61057071
3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane
CID 64945203
1-dodecan-2-ylpyrrolidine
CID 70871228
5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole
CID 106389972
3-nonan-2-yl-1,3-oxazetidine
CID 134510422

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-3-propylpiperazine?
The IUPAC name of 1-heptan-2-yl-3-propylpiperazine (CID 64924539) is 1-heptan-2-yl-3-propylpiperazine.
What is the SMILES notation for 1-heptan-2-yl-3-propylpiperazine?
The canonical SMILES for 1-heptan-2-yl-3-propylpiperazine is CCCCCC(C)N1CCNC(CCC)C1.
What is the InChIKey of 1-heptan-2-yl-3-propylpiperazine?
The InChIKey is XARKJZMDKRHHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-7-9-13(3)16-11-10-15-14(12-16)8-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-heptan-2-yl-3-propylpiperazine?
1-heptan-2-yl-3-propylpiperazine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-3-propylpiperazine is sourced from PubChem (CID 64924539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).