1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine

C15H32N2O — CID 118890200

IUPAC1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
SMILESCC[C@H](CCCCN1CCN(C)CC1)CCOC
InChIInChI=1S/C15H32N2O/c1-4-15(8-14-18-3)7-5-6-9-17-12-10-16(2)11-13-17/h15H,4-14H2,1-3H3/t15-/m1/s1
InChIKeyFZDRXXRPUFVWRM-OAHLLOKOSA-N
MW256.43 g/mol
LogP2.47
Rot. Bonds9

About 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine

1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine (PubChem CID 118890200) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
PubChem CID118890200
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
SMILESCC[C@H](CCCCN1CCN(C)CC1)CCOC
InChIInChI=1S/C15H32N2O/c1-4-15(8-14-18-3)7-5-6-9-17-12-10-16(2)11-13-17/h15H,4-14H2,1-3H3/t15-/m1/s1
InChIKeyFZDRXXRPUFVWRM-OAHLLOKOSA-N
XLogP2.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.47
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-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
CID 118890154
(3R)-3-ethyl-1-methoxynonane
CID 118890071
1-ethyl-4-[(4S)-4-(2-methoxyethyl)-6,6-dimethylheptyl]piperazine
CID 118887695
1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine
CID 135180480
1-methyl-4-(3-pentylnonyl)piperazine
CID 126576998
4-ethyl-1,11-dimethoxyundecane
CID 171750193
(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine
CID 118890313
4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol
CID 117236714
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
(3S)-3-(2,2-dimethylpropyl)-8-(4-methylpiperazin-1-yl)octan-1-ol
CID 118887623
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine?
The IUPAC name of 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine (CID 118890200) is 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine is CC[C@H](CCCCN1CCN(C)CC1)CCOC.
What is the InChIKey of 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine?
The InChIKey is FZDRXXRPUFVWRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-15(8-14-18-3)7-5-6-9-17-12-10-16(2)11-13-17/h15H,4-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine?
1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine has a molecular weight of 256.43 g/mol, XLogP of 2.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine is sourced from PubChem (CID 118890200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).