1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine

C14H24N2O — CID 143935692

IUPAC1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine
SMILESC=C(C)/C=C\C(=C)OCCN1CCN(C)CC1
InChIInChI=1S/C14H24N2O/c1-13(2)5-6-14(3)17-12-11-16-9-7-15(4)8-10-16/h5-6H,1,3,7-12H2,2,4H3/b6-5-
InChIKeyWATXXKIOSQZWAM-WAYWQWQTSA-N
MW236.36 g/mol
LogP1.90
Rot. Bonds6

About 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine

1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine (PubChem CID 143935692) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine
PubChem CID143935692
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine
SMILESC=C(C)/C=C\C(=C)OCCN1CCN(C)CC1
InChIInChI=1S/C14H24N2O/c1-13(2)5-6-14(3)17-12-11-16-9-7-15(4)8-10-16/h5-6H,1,3,7-12H2,2,4H3/b6-5-
InChIKeyWATXXKIOSQZWAM-WAYWQWQTSA-N
XLogP1.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
CID 142259030
1-Methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine
CID 71170408
1-(2-Methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine
CID 134579878
4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine
CID 138636356
1-[2-(2-Methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine
CID 141085631
ethane;1-[2-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]oxyethyl]piperidine
CID 141825118
4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine
CID 142097271
4-[2-(4-Methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
CID 142097272
4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine
CID 142845362
4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine
CID 143093213
4-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyethyl]morpholine
CID 143265861
N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine
CID 143509676

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine (CID 143935692) is 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine is C=C(C)/C=C\C(=C)OCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine?
The InChIKey is WATXXKIOSQZWAM-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2)5-6-14(3)17-12-11-16-9-7-15(4)8-10-16/h5-6H,1,3,7-12H2,2,4H3/b6-5-.
What are the key properties of 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine?
1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine is sourced from PubChem (CID 143935692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).