1-(5-chloropentyl)-4-pentylpiperazine

C14H29ClN2 — CID 67898434

IUPAC1-(5-chloropentyl)-4-pentylpiperazine
SMILESCCCCCN1CCN(CCCCCCl)CC1
InChIInChI=1S/C14H29ClN2/c1-2-3-6-9-16-11-13-17(14-12-16)10-7-4-5-8-15/h2-14H2,1H3
InChIKeyAFJYCLOZXNAJLB-UHFFFAOYSA-N
MW260.85 g/mol
LogP3.20
Rot. Bonds9

About 1-(5-chloropentyl)-4-pentylpiperazine

1-(5-chloropentyl)-4-pentylpiperazine (PubChem CID 67898434) has the molecular formula C14H29ClN2 and a molecular weight of 260.85 g/mol. Its IUPAC name is 1-(5-chloropentyl)-4-pentylpiperazine.

Molecular Properties

Compound Name1-(5-chloropentyl)-4-pentylpiperazine
PubChem CID67898434
Molecular FormulaC14H29ClN2
Molecular Weight260.85 g/mol
Exact Mass260.20
IUPAC Name1-(5-chloropentyl)-4-pentylpiperazine
SMILESCCCCCN1CCN(CCCCCCl)CC1
InChIInChI=1S/C14H29ClN2/c1-2-3-6-9-16-11-13-17(14-12-16)10-7-4-5-8-15/h2-14H2,1H3
InChIKeyAFJYCLOZXNAJLB-UHFFFAOYSA-N
XLogP3.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.85
LogP ≤ 53.20
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-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
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1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-heptylpiperazine
CID 21399221
1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
CID 18413139
1-heptylazetidine
CID 134402356
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
acetylene;1-methyl-4-octylpiperazine
CID 144712197
(4-nonylpiperazin-1-yl)methanol
CID 574800
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
1-hexyl-4-iodopiperazine
CID 167297549

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-4-pentylpiperazine?
The IUPAC name of 1-(5-chloropentyl)-4-pentylpiperazine (CID 67898434) is 1-(5-chloropentyl)-4-pentylpiperazine.
What is the SMILES notation for 1-(5-chloropentyl)-4-pentylpiperazine?
The canonical SMILES for 1-(5-chloropentyl)-4-pentylpiperazine is CCCCCN1CCN(CCCCCCl)CC1.
What is the InChIKey of 1-(5-chloropentyl)-4-pentylpiperazine?
The InChIKey is AFJYCLOZXNAJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClN2/c1-2-3-6-9-16-11-13-17(14-12-16)10-7-4-5-8-15/h2-14H2,1H3.
What are the key properties of 1-(5-chloropentyl)-4-pentylpiperazine?
1-(5-chloropentyl)-4-pentylpiperazine has a molecular weight of 260.85 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-4-pentylpiperazine is sourced from PubChem (CID 67898434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).