1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine

C16H26N2O — CID 141006326

IUPAC1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
SMILESCC(C)=C1C=C(OCCCN2CCNCC2)C=CC1
InChIInChI=1S/C16H26N2O/c1-14(2)15-5-3-6-16(13-15)19-12-4-9-18-10-7-17-8-11-18/h3,6,13,17H,4-5,7-12H2,1-2H3
InChIKeyNTIOIKRFUKVEQZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds5

About 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine

1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine (PubChem CID 141006326) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
PubChem CID141006326
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
SMILESCC(C)=C1C=C(OCCCN2CCNCC2)C=CC1
InChIInChI=1S/C16H26N2O/c1-14(2)15-5-3-6-16(13-15)19-12-4-9-18-10-7-17-8-11-18/h3,6,13,17H,4-5,7-12H2,1-2H3
InChIKeyNTIOIKRFUKVEQZ-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
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-[2-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine
CID 68779781
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
(3-Ethoxy-6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone
CID 88850353
(Z)-[(6E)-4-piperidin-4-yloxy-5-prop-1-en-2-yl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 89147944
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine
CID 142202958
Ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 142256489
1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine
CID 143655676
Ethane;2-ethoxycyclohexa-1,3-diene;methane;piperazine
CID 144345944
2-(Cyclohexa-1,5-dien-1-yloxymethyl)piperazine
CID 144599678
1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine
CID 145429961
1-[(1S)-1-(3H-isochromen-6-yl)ethyl]piperazine
CID 156309878

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine?
The IUPAC name of 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine (CID 141006326) is 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine.
What is the SMILES notation for 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine?
The canonical SMILES for 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine is CC(C)=C1C=C(OCCCN2CCNCC2)C=CC1.
What is the InChIKey of 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine?
The InChIKey is NTIOIKRFUKVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)15-5-3-6-16(13-15)19-12-4-9-18-10-7-17-8-11-18/h3,6,13,17H,4-5,7-12H2,1-2H3.
What are the key properties of 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine?
1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine is sourced from PubChem (CID 141006326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).