1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine

C16H25ClN2O — CID 5154793

IUPAC1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
SMILESCc1cc(Cl)ccc1OCCCCCN1CCNCC1
InChIInChI=1S/C16H25ClN2O/c1-14-13-15(17)5-6-16(14)20-12-4-2-3-9-19-10-7-18-8-11-19/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyDZVZRZWYRUTWSF-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.10
Rot. Bonds7

About 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine

1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine (PubChem CID 5154793) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine.

Molecular Properties

Compound Name1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
PubChem CID5154793
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
SMILESCc1cc(Cl)ccc1OCCCCCN1CCNCC1
InChIInChI=1S/C16H25ClN2O/c1-14-13-15(17)5-6-16(14)20-12-4-2-3-9-19-10-7-18-8-11-19/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyDZVZRZWYRUTWSF-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109
1-[4-(2,5-dichlorophenoxy)butyl]piperazine
CID 2299434
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396
1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine
CID 2195012
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine
CID 5223642
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
4-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 2082722
1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine
CID 114276739
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940966

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine?
The IUPAC name of 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine (CID 5154793) is 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine.
What is the SMILES notation for 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine?
The canonical SMILES for 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine is Cc1cc(Cl)ccc1OCCCCCN1CCNCC1.
What is the InChIKey of 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine?
The InChIKey is DZVZRZWYRUTWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-14-13-15(17)5-6-16(14)20-12-4-2-3-9-19-10-7-18-8-11-19/h5-6,13,18H,2-4,7-12H2,1H3.
What are the key properties of 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine?
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine has a molecular weight of 296.84 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine is sourced from PubChem (CID 5154793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).