1-(7-methyloctyl)-2-phenylpiperazine

C19H32N2 — CID 107818420

IUPAC1-(7-methyloctyl)-2-phenylpiperazine
SMILESCC(C)CCCCCCN1CCNCC1c1ccccc1
InChIInChI=1S/C19H32N2/c1-17(2)10-6-3-4-9-14-21-15-13-20-16-19(21)18-11-7-5-8-12-18/h5,7-8,11-12,17,19-20H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyFUULAQAZHUWEIT-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds8

About 1-(7-methyloctyl)-2-phenylpiperazine

1-(7-methyloctyl)-2-phenylpiperazine (PubChem CID 107818420) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(7-methyloctyl)-2-phenylpiperazine.

Molecular Properties

Compound Name1-(7-methyloctyl)-2-phenylpiperazine
PubChem CID107818420
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(7-methyloctyl)-2-phenylpiperazine
SMILESCC(C)CCCCCCN1CCNCC1c1ccccc1
InChIInChI=1S/C19H32N2/c1-17(2)10-6-3-4-9-14-21-15-13-20-16-19(21)18-11-7-5-8-12-18/h5,7-8,11-12,17,19-20H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyFUULAQAZHUWEIT-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
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

1-(3-fluoropropyl)-2-phenylpiperazine
CID 81114300
1-(3-ethoxypropyl)-2-phenylpiperazine
CID 64938444
1-(2-phenylpiperazin-1-yl)heptan-2-ol
CID 70408469
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
5-ethyl-1-(4-methylpentyl)-2-phenylpiperazine
CID 64940985
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
2-(2-phenylpiperazin-1-yl)ethyl 3-oxobutanoate
CID 57179690
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine
CID 114102162
2-methyl-1-(4-methylpentyl)piperazine
CID 64931123

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctyl)-2-phenylpiperazine?
The IUPAC name of 1-(7-methyloctyl)-2-phenylpiperazine (CID 107818420) is 1-(7-methyloctyl)-2-phenylpiperazine.
What is the SMILES notation for 1-(7-methyloctyl)-2-phenylpiperazine?
The canonical SMILES for 1-(7-methyloctyl)-2-phenylpiperazine is CC(C)CCCCCCN1CCNCC1c1ccccc1.
What is the InChIKey of 1-(7-methyloctyl)-2-phenylpiperazine?
The InChIKey is FUULAQAZHUWEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-17(2)10-6-3-4-9-14-21-15-13-20-16-19(21)18-11-7-5-8-12-18/h5,7-8,11-12,17,19-20H,3-4,6,9-10,13-16H2,1-2H3.
What are the key properties of 1-(7-methyloctyl)-2-phenylpiperazine?
1-(7-methyloctyl)-2-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)-2-phenylpiperazine is sourced from PubChem (CID 107818420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).