1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine

C17H28N2O — CID 112798089

IUPAC1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
SMILESCCCCCOc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-4-5-14-20-17-8-6-16(7-9-17)15-19-12-10-18(2)11-13-19/h6-9H,3-5,10-15H2,1-2H3
InChIKeyYRZYAIKYDVAOHK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.00
Rot. Bonds7

About 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine

1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine (PubChem CID 112798089) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
PubChem CID112798089
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
SMILESCCCCCOc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-4-5-14-20-17-8-6-16(7-9-17)15-19-12-10-18(2)11-13-19/h6-9H,3-5,10-15H2,1-2H3
InChIKeyYRZYAIKYDVAOHK-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-[(4-butoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112798075
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
(3R,5S)-1-[(4-pentoxyphenyl)methyl]piperidine-3,4,5-triol
CID 166834208
2-(4-methylpiperazin-1-yl)-1-(4-octadecoxyphenyl)ethanone
CID 170861782
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
1,4-dipentoxybenzene
CID 18314717
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine (CID 112798089) is 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine is CCCCCOc1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine?
The InChIKey is YRZYAIKYDVAOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-5-14-20-17-8-6-16(7-9-17)15-19-12-10-18(2)11-13-19/h6-9H,3-5,10-15H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine?
1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine is sourced from PubChem (CID 112798089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).