1-(5-chloropentyl)-4-propan-2-ylpiperazine

C12H25ClN2 — CID 61288760

IUPAC1-(5-chloropentyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCCCCCl)CC1
InChIInChI=1S/C12H25ClN2/c1-12(2)15-10-8-14(9-11-15)7-5-3-4-6-13/h12H,3-11H2,1-2H3
InChIKeyRSVWPUZOQSHSFY-UHFFFAOYSA-N
MW232.80 g/mol
LogP2.42
Rot. Bonds6

About 1-(5-chloropentyl)-4-propan-2-ylpiperazine

1-(5-chloropentyl)-4-propan-2-ylpiperazine (PubChem CID 61288760) has the molecular formula C12H25ClN2 and a molecular weight of 232.80 g/mol. Its IUPAC name is 1-(5-chloropentyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-chloropentyl)-4-propan-2-ylpiperazine
PubChem CID61288760
Molecular FormulaC12H25ClN2
Molecular Weight232.80 g/mol
Exact Mass232.17
IUPAC Name1-(5-chloropentyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCCCCCl)CC1
InChIInChI=1S/C12H25ClN2/c1-12(2)15-10-8-14(9-11-15)7-5-3-4-6-13/h12H,3-11H2,1-2H3
InChIKeyRSVWPUZOQSHSFY-UHFFFAOYSA-N
XLogP2.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-(5-chloropentyl)-4-pentylpiperazine
CID 67898434
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-(8-methyldecyl)-4-propan-2-ylpiperazine
CID 171838375
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
CID 18413139
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
1-pent-4-ynyl-4-propan-2-ylpiperazine
CID 90177034
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
CID 157204487

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(5-chloropentyl)-4-propan-2-ylpiperazine (CID 61288760) is 1-(5-chloropentyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-chloropentyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-chloropentyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(CCCCCCl)CC1.
What is the InChIKey of 1-(5-chloropentyl)-4-propan-2-ylpiperazine?
The InChIKey is RSVWPUZOQSHSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2/c1-12(2)15-10-8-14(9-11-15)7-5-3-4-6-13/h12H,3-11H2,1-2H3.
What are the key properties of 1-(5-chloropentyl)-4-propan-2-ylpiperazine?
1-(5-chloropentyl)-4-propan-2-ylpiperazine has a molecular weight of 232.80 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 61288760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).