3-cyclopropyl-1-octan-2-ylpiperazine

C15H30N2 — CID 64925345

IUPAC3-cyclopropyl-1-octan-2-ylpiperazine
SMILESCCCCCCC(C)N1CCNC(C2CC2)C1
InChIInChI=1S/C15H30N2/c1-3-4-5-6-7-13(2)17-11-10-16-15(12-17)14-8-9-14/h13-16H,3-12H2,1-2H3
InChIKeyQQHGBRXKHZXUKQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds7

About 3-cyclopropyl-1-octan-2-ylpiperazine

3-cyclopropyl-1-octan-2-ylpiperazine (PubChem CID 64925345) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-octan-2-ylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-octan-2-ylpiperazine
PubChem CID64925345
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-cyclopropyl-1-octan-2-ylpiperazine
SMILESCCCCCCC(C)N1CCNC(C2CC2)C1
InChIInChI=1S/C15H30N2/c1-3-4-5-6-7-13(2)17-11-10-16-15(12-17)14-8-9-14/h13-16H,3-12H2,1-2H3
InChIKeyQQHGBRXKHZXUKQ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
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

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CID 64945390
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1-heptan-2-yl-3-propylpiperazine
CID 64924539
3-cyclopropyl-1-octylpiperazine
CID 64833415
1-heptan-2-ylpiperazine
CID 61464712
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine
CID 64954449
1-octan-2-yl-1,4-diazepane
CID 61057071
1-but-3-yn-2-yl-3-cyclopropylpiperazine
CID 114420475
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
CID 64951403
1-nonan-2-yl-2-pyrrolidin-2-ylpyrrolidine
CID 55053955
5-octan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211566

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-octan-2-ylpiperazine?
The IUPAC name of 3-cyclopropyl-1-octan-2-ylpiperazine (CID 64925345) is 3-cyclopropyl-1-octan-2-ylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-octan-2-ylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-octan-2-ylpiperazine is CCCCCCC(C)N1CCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-octan-2-ylpiperazine?
The InChIKey is QQHGBRXKHZXUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-4-5-6-7-13(2)17-11-10-16-15(12-17)14-8-9-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-octan-2-ylpiperazine?
3-cyclopropyl-1-octan-2-ylpiperazine has a molecular weight of 238.42 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 3-cyclopropyl-1-octan-2-ylpiperazine is sourced from PubChem (CID 64925345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).