1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine

C14H24N2O — CID 164736842

IUPAC1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine
SMILESC[C@@H]1C=C(OCCN2CCNCC2)C=C[C@@H]1C
InChIInChI=1S/C14H24N2O/c1-12-3-4-14(11-13(12)2)17-10-9-16-7-5-15-6-8-16/h3-4,11-13,15H,5-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyMGEKAFFJOAWOMH-QWHCGFSZSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds4

About 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine

1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine (PubChem CID 164736842) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine.

Molecular Properties

Compound Name1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine
PubChem CID164736842
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine
SMILESC[C@@H]1C=C(OCCN2CCNCC2)C=C[C@@H]1C
InChIInChI=1S/C14H24N2O/c1-12-3-4-14(11-13(12)2)17-10-9-16-7-5-15-6-8-16/h3-4,11-13,15H,5-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyMGEKAFFJOAWOMH-QWHCGFSZSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-[2-[(3Z)-8-fluoro-5-methylcycloocta-1,3,7-trien-1-yl]oxyethyl]ethane-1,2-diamine
CID 173763345
1-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperazine
CID 176700608
1-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethyl]piperazine
CID 176701022
1-Methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine
CID 71170408
1-(2-Octa-4,6-dien-3-yloxyethyl)piperazine
CID 123147935
1-[3-(3-Propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
CID 141006326
1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine
CID 142202958
1-(6-Methoxy-4-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 143188882
Ethane;2-ethoxycyclohexa-1,3-diene;methane;piperazine
CID 144345944
1-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybuta-2,3-dien-2-yl]piperazine
CID 144345962
2-Methoxycyclohexa-1,3-diene;morpholine
CID 144463140
2-(Cyclohexa-1,5-dien-1-yloxymethyl)piperazine
CID 144599678

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine?
The IUPAC name of 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine (CID 164736842) is 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine.
What is the SMILES notation for 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine?
The canonical SMILES for 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine is C[C@@H]1C=C(OCCN2CCNCC2)C=C[C@@H]1C.
What is the InChIKey of 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine?
The InChIKey is MGEKAFFJOAWOMH-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-3-4-14(11-13(12)2)17-10-9-16-7-5-15-6-8-16/h3-4,11-13,15H,5-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine?
1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine is sourced from PubChem (CID 164736842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).