(3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine

C14H24N2O2 — CID 70277981

IUPAC(3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine
SMILESCOCCOC1C=C(N2CCN[C@H](C)C2)C=CC1
InChIInChI=1S/C14H24N2O2/c1-12-11-16(7-6-15-12)13-4-3-5-14(10-13)18-9-8-17-2/h3-4,10,12,14-15H,5-9,11H2,1-2H3/t12-,14?/m1/s1
InChIKeyPZJZTSZWCXHEFF-PUODRLBUSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds5

About (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine

(3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine (PubChem CID 70277981) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine
PubChem CID70277981
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine
SMILESCOCCOC1C=C(N2CCN[C@H](C)C2)C=CC1
InChIInChI=1S/C14H24N2O2/c1-12-11-16(7-6-15-12)13-4-3-5-14(10-13)18-9-8-17-2/h3-4,10,12,14-15H,5-9,11H2,1-2H3/t12-,14?/m1/s1
InChIKeyPZJZTSZWCXHEFF-PUODRLBUSA-N
XLogP1.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine (CID 70277981) is (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine is COCCOC1C=C(N2CCN[C@H](C)C2)C=CC1.
What is the InChIKey of (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine?
The InChIKey is PZJZTSZWCXHEFF-PUODRLBUSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-11-16(7-6-15-12)13-4-3-5-14(10-13)18-9-8-17-2/h3-4,10,12,14-15H,5-9,11H2,1-2H3/t12-,14?/m1/s1.
What are the key properties of (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine?
(3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine has a molecular weight of 252.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine is sourced from PubChem (CID 70277981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).