3-cyclopropyl-3-methyl-1-octylpiperazine

C16H32N2 — CID 64833492

IUPAC3-cyclopropyl-3-methyl-1-octylpiperazine
SMILESCCCCCCCCN1CCNC(C)(C2CC2)C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-8-12-18-13-11-17-16(2,14-18)15-9-10-15/h15,17H,3-14H2,1-2H3
InChIKeyMTPUJURWWQNCLT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds8

About 3-cyclopropyl-3-methyl-1-octylpiperazine

3-cyclopropyl-3-methyl-1-octylpiperazine (PubChem CID 64833492) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-octylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-octylpiperazine
PubChem CID64833492
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-cyclopropyl-3-methyl-1-octylpiperazine
SMILESCCCCCCCCN1CCNC(C)(C2CC2)C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-8-12-18-13-11-17-16(2,14-18)15-9-10-15/h15,17H,3-14H2,1-2H3
InChIKeyMTPUJURWWQNCLT-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
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

3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine
CID 64926000
3-(3-cyclopropyl-3-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64924654
3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine
CID 106221906
1-(3-cyclopentylpropyl)-3-cyclopropyl-3-methylpiperazine
CID 106008956
3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64831509
5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
CID 64876529
3-cyclopropyl-3-methyl-1-pent-4-ynyl-1,4-diazepane
CID 106221926
4-decyl-1,4-diazaspiro[5.5]undecane
CID 64831885
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine
CID 114138502
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
CID 105409901
3-cyclopropyl-3-methyl-1-(2-phenoxyethyl)piperazine
CID 64833088
3-cyclopropyl-3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 103016188

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-octylpiperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-octylpiperazine (CID 64833492) is 3-cyclopropyl-3-methyl-1-octylpiperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-octylpiperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-octylpiperazine is CCCCCCCCN1CCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-octylpiperazine?
The InChIKey is MTPUJURWWQNCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-5-6-7-8-12-18-13-11-17-16(2,14-18)15-9-10-15/h15,17H,3-14H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-octylpiperazine?
3-cyclopropyl-3-methyl-1-octylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-octylpiperazine is sourced from PubChem (CID 64833492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).